N-(4-methyl-3-nitro-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-14-8-9-17(12-19(14)26(29)30)24-20(27)11-10-18-15(2)23-22(25-21(18)28)31-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)(H,23,25,28)