Registration Dossier

General information

Inventory

EC number:
276-344-2
EC name:
5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
CAS number:
72102-84-2

No inventory information available

Reference substance information

IUPAC name:
5-[(E)-2-(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)diazen-1-yl]-1,3-diazinane-2,4,6-trione
Synonyms
Names:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl- 2-oxo-1H-benzimidazol-5-yl)azo]-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-
Identifier:
CAS number
72102-84-2
Identifier:
IUPAC name
5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5- yl)azo]barbituric acid
Identifier:
IUPAC name
5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
Identifier:
IUPAC name
5-[(E)-2-(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)diazen-1-yl]-1,3-diazinane-2,4,6-trione
Identifier:
other: InChl
1S/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)/b18-17+
Identifier:
other: SMILES notation
C1(NC(C(C(N1)=O)\N=N\c1cc2[nH]c([nH]c2cc1C)=O)=O)=O
Identifier:
other: Molecular formula
C12H10N6O4
5-[(6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)diazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione

CAS information

CAS number:
72102-84-2

Molecular and structural information

Molecular formula:
C12H10N6O4
Molecular weight:
302.246
SMILES notation:
O=C3NC(=O)NC(=O)C3N=Nc1cc2NC(=O)Nc2cc1C
InChl:
InChI=1/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)
Structural formula:
Chemical structure