6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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