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

Systemtic Name: ethyl 8-azanyl-1-methyl-6-oxidanylidene-5-phenyl-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylate Openeye Name: ethyl 8-amino-1-methyl-6-oxo-5-phenyl-2H-pyrimido[4,5-c]diazepine-3-carboxylate CAS Name: 8-amino-1-methyl-6-oxo-5-phenyl-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-1-methyl-6-oxo-5-phenyl-2H-pyrimido[4,5-c]diazepine-3-carboxylate Traditional Name: 8-amino-6-keto-1-methyl-5-phenyl-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid ethyl ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=NC(=NC2=O)N)N(N1)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=NC(=NC2=O)N)N(N1)C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O3/c1-3-25-16(24)12-9-11(10-7-5-4-6-8-10)13-14(22(2)21-12)19-17(18)20-15(13)23/h4-9,21H,3H2,1-2H3,(H2,18,20,23)