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

Systemtic Name: methyl 8-azanyl-1-methyl-6-oxidanylidene-5-pyridin-3-yl-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylate Openeye Name: methyl 8-amino-1-methyl-6-oxo-5-(3-pyridyl)-2H-pyrimido[4,5-c]diazepine-3-carboxylate CAS Name: 8-amino-1-methyl-6-oxo-5-(3-pyridinyl)-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 8-amino-1-methyl-6-oxo-5-pyridin-3-yl-2H-pyrimido[4,5-c]diazepine-3-carboxylate Traditional Name: 8-amino-6-keto-1-methyl-5-(3-pyridyl)-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid methyl ester Formula: C15H14N6O3 MolecularWeight: 326.31006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O3/c1-21-12-11(13(22)19-15(16)18-12)9(8-4-3-5-17-7-8)6-10(20-21)14(23)24-2/h3-7,20H,1-2H3,(H2,16,19,22)