diethyl 2-methoxy-3,6-dimethyl-4-oxidanylidene-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate

Systemtic Name: diethyl 2-methoxy-3,6-dimethyl-4-oxidanylidene-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate Openeye Name: diethyl 2-methoxy-3,6-dimethyl-4-oxo-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate CAS Name: 2-methoxy-3,6-dimethyl-4-oxo-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methoxy-3,6-dimethyl-4-oxo-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate Traditional Name: 4-keto-2-methoxy-3,6-dimethyl-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylic acid diethyl ester Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(NC2=C(N1)N=C(N(C2=O)C)OC)(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(NC2=C(N1)N=C(N(C2=O)C)OC)(C)C(=O)OCC

InChI

InChI=1S/C16H22N4O6/c1-6-25-13(22)9-8-16(3,14(23)26-7-2)19-10-11(17-9)18-15(24-5)20(4)12(10)21/h8,17,19H,6-7H2,1-5H3