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

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-9-12(5-4-6-13(9)20(23)24)18-14(21)8-7-11-10(2)17-16(25-3)19-15(11)22/h4-6H,7-8H2,1-3H3,(H,18,21)(H,17,19,22)