diethyl 6-methyl-2-methylsulfanyl-4-oxidanylidene-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate

Systemtic Name: diethyl 6-methyl-2-methylsulfanyl-4-oxidanylidene-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate Openeye Name: diethyl 6-methyl-2-methylsulfanyl-4-oxo-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate CAS Name: 6-methyl-2-(methylthio)-4-oxo-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-methyl-2-methylsulfanyl-4-oxo-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate Traditional Name: 4-keto-6-methyl-2-(methylthio)-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylic acid diethyl ester Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(NC2=C(N1)NC(=NC2=O)SC)(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(NC2=C(N1)NC(=NC2=O)SC)(C)C(=O)OCC

InChI

InChI=1S/C15H20N4O5S/c1-5-23-12(21)8-7-15(3,13(22)24-6-2)19-9-10(16-8)17-14(25-4)18-11(9)20/h7,19H,5-6H2,1-4H3,(H2,16,17,18,20)