N-[4-chloranyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-2-yl]ethanamide

Systemtic Name: N-[4-chloranyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-2-yl]ethanamide Openeye Name: N-(4-benzylsulfanyl-6-chloro-5-nitro-pyrimidin-2-yl)acetamide CAS Name: N-[4-chloro-5-nitro-6-(phenylmethylthio)-2-pyrimidinyl]acetamide IUPAC Name: N-(4-benzylsulfanyl-6-chloro-5-nitropyrimidin-2-yl)acetamide Traditional Name: N-[4-(benzylthio)-6-chloro-5-nitro-pyrimidin-2-yl]acetamide Formula: C13H11ClN4O3S MolecularWeight: 338.76944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C13H11ClN4O3S/c1-8(19)15-13-16-11(14)10(18(20)21)12(17-13)22-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16,17,19)