3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C17H20N4O3S/c1-10-5-6-13(21(23)24)9-15(10)20-16(22)8-7-14-11(2)18-17(25-4)19-12(14)3/h5-6,9H,7-8H2,1-4H3,(H,20,22)