methyl 8-azanyl-1,3-dimethyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-5-carboxylate

Systemtic Name: methyl 8-azanyl-1,3-dimethyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-5-carboxylate Openeye Name: methyl 8-amino-1,3-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-5-carboxylate CAS Name: 8-amino-1,3-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 8-amino-1,3-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-5-carboxylate Traditional Name: 8-amino-6-keto-1,3-dimethyl-2H-pyrimido[4,5-c]diazepine-5-carboxylic acid methyl ester Formula: C11H13N5O3 MolecularWeight: 263.25262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=NC(=NC2=O)N)N(N1)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C2C(=NC(=NC2=O)N)N(N1)C)C(=O)OC

InChI

InChI=1S/C11H13N5O3/c1-5-4-6(10(18)19-3)7-8(16(2)15-5)13-11(12)14-9(7)17/h4,15H,1-3H3,(H2,12,14,17)