N-[5-nitro-6-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-nitro-6-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidin-2-yl]ethanamide Openeye Name: N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide CAS Name: N-[5-nitro-6-oxo-4-(phenylmethylthio)-1H-pyrimidin-2-yl]acetamide IUPAC Name: N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide Traditional Name: N-[4-(benzylthio)-6-keto-5-nitro-1H-pyrimidin-2-yl]acetamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4S/c1-8(18)14-13-15-11(19)10(17(20)21)12(16-13)22-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,15,16,18,19)