2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O4S/c13-9-5-10(18)16-12(15-9)22-6-11(19)14-7-2-1-3-8(4-7)17(20)21/h1-5H,6H2,(H,14,19)(H3,13,15,16,18)