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

Systemtic Name: methyl 8-azanyl-5-(3-hydroxyphenyl)-1-methyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylate Openeye Name: methyl 8-amino-5-(3-hydroxyphenyl)-1-methyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylate CAS Name: 8-amino-5-(3-hydroxyphenyl)-1-methyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 8-amino-5-(3-hydroxyphenyl)-1-methyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylate Traditional Name: 8-amino-5-(3-hydroxyphenyl)-6-keto-1-methyl-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid methyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=O)C2=C(C=C(N1)C(=O)OC)C3=CC(=CC=C3)O)N

Isomeric SMILES

CN1C2=NC(=NC(=O)C2=C(C=C(N1)C(=O)OC)C3=CC(=CC=C3)O)N

InChI

InChI=1S/C16H15N5O4/c1-21-13-12(14(23)19-16(17)18-13)10(7-11(20-21)15(24)25-2)8-4-3-5-9(22)6-8/h3-7,20,22H,1-2H3,(H2,17,19,23)