IngredientID 12188

Benzouracil

C8H6N2O2

Relationship Network

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Herb: 2Ingredient: 1Target: 12Links: 14

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 12188
Core Entity Id: 16715
Source Entity Count: 1
Preferred Name: Benzouracil
Name En
Pubchem Id: 64048
Smiles Canonical: C1=CC=C2C(=C1)C(=O)NC(=O)N2
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1480
Inchikey: SDQJTWBNWQABLE-UHFFFAOYSA-N
Inchi: InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
Isomeric Smiles: C1=CC=C2C(=C1)C(=O)NC(=O)N2
Cas Id: 86-96-4
Ob Score: 34.1869
Mol Logp: 0.2164
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 0
Drug Likeness: 0.5810
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Benzouracil

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Benzouracil

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Benzouracil

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Benzouracil

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Benzouracil

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(1H,3H)-Quinazoline-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

(1H,3H)Quinazoline dione-2,4

Role

alias

Source

TCMBank

Preferred

Name

(1H,3H)Quinazoline dione-2,4 [French]

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4-Tetrahydroquinazoline-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

142026_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

1H-Quinazoline-2,4-dione

Role

alias

Source

itcmdb_public

Preferred

Name

1H-Quinazoline-2,4-dione

Role

alias

Source

HERB_v2

Preferred

Name

1H-quinazoline-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

1H-quinazoline-2,4-quinone

Role

alias

Source

TCMBank

Preferred

Name

2,4(1H,3H)-Quinazolinedione

Role

alias

Source

HERB_v2

Preferred

Name

2,4(1H,3H)-Quinazolinedione

Role

alias

Source

TCMBank

Preferred

Name

2,4(1H,3H)-Quinazolinedione

Role

alias

Source

itcmdb_public

Preferred

Name

2,4-Dihydroxyquinazoline

Role

alias

Source

HERB_v2

Preferred

Name

2,4-Dihydroxyquinazoline

Role

alias

Source

TCMBank

Preferred

Name

2,4-Dihydroxyquinazoline

Role

alias

Source

itcmdb_public

Preferred

Name

2,4-Dioxotetrahydroquinazoline

Role

alias

Source

TCMBank

Preferred

Name

2-Keto-4-quinazolinone

Role

alias

Source

TCMBank

Preferred

Name

86-96-4

Role

alias

Source

TCMBank

Preferred

Name

86-96-4

Role

alias

Source

itcmdb_public

Preferred

Name

86-96-4

Role

alias

Source

HERB_v2

Preferred

Name

AH-740/03933012

Role

alias

Source

TCMBank

Preferred

Name

AI3-28016

Role

alias

Source

TCMBank

Preferred

Name

AIDS054314

Role

alias

Source

TCMBank

Preferred

Name

Benzoyleneurea

Role

alias

Source

HERB_v2

Preferred

Name

Benzoyleneurea

Role

alias

Source

TCMBank

Preferred

Name

Benzoyleneurea

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 201-712-6

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12

Role

alias

Source

TCMBank

Preferred

Name

MLS000762991

Role

alias

Source

TCMBank

Preferred

Name

Maybridge1_000647

Role

alias

Source

TCMBank

Preferred

Name

NSC 2108

Role

alias

Source

TCMBank

Preferred

Name

Oprea1_764687

Role

alias

Source

TCMBank

Preferred

Name

PDSP1_000044

Role

alias

Source

TCMBank

Preferred

Name

PDSP2_000044

Role

alias

Source

TCMBank

Preferred

Name

Quinazoline-2,4-diol

Role

alias

Source

HERB_v2

Preferred

Name

Quinazoline-2,4-diol

Role

alias

Source

TCMBank

Preferred

Name

Quinazoline-2,4-diol

Role

alias

Source

itcmdb_public

Preferred

Name

Quinazoline-2,4-dione

Role

alias

Source

HERB_v2

Preferred

Name

Quinazoline-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

Quinazoline-2,4-dione

Role

alias

Source

itcmdb_public

Preferred

Name

Quinazolinedione

Role

alias

Source

HERB_v2

Preferred

Name

Quinazolinedione

Role

alias

Source

TCMBank

Preferred

Name

Quinazolinedione

Role

alias

Source

itcmdb_public

Preferred

Name

SDCCGMLS-0065795.P001

Role

alias

Source

TCMBank

Preferred

Name

SMR000439476

Role

alias

Source

TCMBank

Preferred

Name

ST5165565

Role

alias

Source

TCMBank

Preferred

Name

Urea, benzoylene-

Role

alias

Source

TCMBank

Preferred

Name

WLN: T66 BMVMVJ

Role

alias

Source

TCMBank

Preferred

Name

ZINC00150158

Role

alias

Source

TCMBank

Preferred

Name

quinazoline-2,4(1H,3H)-dione

Role

alias

Source

HERB_v2

Preferred

Name

quinazoline-2,4(1H,3H)-dione

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

(1H,3H)-Quinazoline-2,4-dione(1H,3H)Quinazoline dione-2,4(1H,3H)Quinazoline dione-2,4 [French]1,2,3,4-Tetrahydroquinazoline-2,4-dione142026_ALDRICH1H-Quinazoline-2,4-dione1H-quinazoline-2,4-quinone2,4(1H,3H)-Quinazolinedione2,4-Dihydroxyquinazoline2,4-Dioxotetrahydroquinazoline2-Keto-4-quinazolinone86-96-4AH-740/03933012AI3-28016AIDS054314BenzoyleneureaEINECS 201-712-6InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12MLS000762991Maybridge1_000647NSC 2108Oprea1_764687PDSP1_000044PDSP2_000044Quinazoline-2,4-diolQuinazoline-2,4-dioneQuinazolinedioneSDCCGMLS-0065795.P001SMR000439476ST5165565Urea, benzoylene-WLN: T66 BMVMVJZINC00150158quinazoline-2,4(1H,3H)-dione

Cross References

Trusted external identifiers retained for this final record.

Cas

86-96-4

Herb

HBIN017807

Npass

NPC224632

Tcmsp

MOL001802

Sym Map

SMIT04158

Pub Chem

64048

Tcmbank

TCMBANKIN003488

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

Mol Wt

162.148

Cas Id

86-96-4

Smiles

C1=CC=C2C(=C1)C(=O)NC(=O)N2

Mol Log P

0.2163999999999998

Version

v1,v2

In Ch Ikey

SDQJTWBNWQABLE-UHFFFAOYSA-N

Ob Score

34.1869219134.18692234.187

Suppress

Num Hdonors

Drug Likeness

0.581

Num Hacceptors

Isomeric Smiles

C1=CC=C2C(=C1)C(=O)NC(=O)N2

Molecule Weight

162.16

Canonical Smiles

C1=CC=C2C(=C1)C(=O)NC(=O)N2

Herb Alias Names

Benzoyleneurea86-96-4quinazoline-2,4(1H,3H)-dione2,4(1H,3H)-QuinazolinedioneQuinazoline-2,4-diol1H-Quinazoline-2,4-dione2,4-DihydroxyquinazolineQuinazolinedioneQuinazoline-2,4-dione

Molecular Weight

162.15

Molecular Formula

C8H6N2O2

Molecular Formula

C8H6N2O2

Num Rotatable Bonds