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

Systemtic Name: 6-azanyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H10N4O4S/c13-10-5-11(18)15-12(14-10)21-6-9(17)7-2-1-3-8(4-7)16(19)20/h1-5H,6H2,(H3,13,14,15,18)