2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O3S/c1-7-4-11(15)18-13(16-7)23-6-12(20)17-10-3-2-8(19(21)22)5-9(10)14/h2-5H,6H2,1H3,(H,17,20)(H2,15,16,18)