3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-nitrophenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(3-nitrophenyl)propionamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c1-10-14(11(2)18-16(17-10)24-3)7-8-15(21)19-12-5-4-6-13(9-12)20(22)23/h4-6,9H,7-8H2,1-3H3,(H,19,21)