1-methyl-N-(4-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 1-methyl-N-(4-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidine-5-carboxamide Openeye Name: 1-methyl-6-oxo-2-phenacylsulfanyl-N-(p-tolyl)pyrimidine-5-carboxamide CAS Name: 1-methyl-N-(4-methylphenyl)-6-oxo-2-(phenacylthio)-5-pyrimidinecarboxamide IUPAC Name: 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide Traditional Name: 6-keto-1-methyl-2-(phenacylthio)-N-(p-tolyl)pyrimidine-5-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-14-8-10-16(11-9-14)23-19(26)17-12-22-21(24(2)20(17)27)28-13-18(25)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,26)