2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S/c1-8-6-11(14)17-13(15-8)22-7-12(19)16-9-2-4-10(5-3-9)18(20)21/h2-6H,7H2,1H3,(H,16,19)(H2,14,15,17)