6-methyl-4-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-2-one

Systemtic Name: 6-methyl-4-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-2-one Openeye Name: 6-methyl-4-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-2-one CAS Name: 6-methyl-4-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1H-pyrimidin-2-one IUPAC Name: 6-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-2-one Traditional Name: 4-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-1H-pyrimidin-2-one Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4S/c1-8-6-12(15-13(18)14-8)21-7-11(17)9-2-4-10(5-3-9)16(19)20/h2-6H,7H2,1H3,(H,14,15,18)