6-azanyl-2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanyl-6-amino-1H-pyrimidin-4-one CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]-6-amino-1H-pyrimidin-4-one IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanyl-6-amino-1H-pyrimidin-4-one Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]-6-amino-1H-pyrimidin-4-one Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC(=O)C=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC(=O)C=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S/c1-6(17)7-2-3-9(8(4-7)16(19)20)21-12-14-10(13)5-11(18)15-12/h2-5H,1H3,(H3,13,14,15,18)