N-(4-acetamidophenyl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22N4O3S/c1-15-12-21(29)26(22(23-15)30-14-17-6-4-3-5-7-17)13-20(28)25-19-10-8-18(9-11-19)24-16(2)27/h3-12H,13-14H2,1-2H3,(H,24,27)(H,25,28)