dimethyl 2-(4-methoxy-4-oxidanylidene-1-phenylsulfanyl-butyl)pyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(4-methoxy-4-oxidanylidene-1-phenylsulfanyl-butyl)pyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 2-(4-methoxy-4-oxo-1-phenylsulfanyl-butyl)pyrimidine-4,5-dicarboxylate CAS Name: 2-[4-methoxy-4-oxo-1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-methoxy-4-oxo-1-phenylsulfanylbutyl)pyrimidine-4,5-dicarboxylate Traditional Name: 2-[4-keto-4-methoxy-1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C1=NC=C(C(=N1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(C1=NC=C(C(=N1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6S/c1-25-15(22)10-9-14(28-12-7-5-4-6-8-12)17-20-11-13(18(23)26-2)16(21-17)19(24)27-3/h4-8,11,14H,9-10H2,1-3H3