2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-nitro-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-nitro-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-hydroxy-4-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-hydroxy-4-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-hydroxy-4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-hydroxy-4-nitro-phenyl)acetamide Formula: C13H10N6O4S MolecularWeight: 346.3213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O4S/c14-4-7-5-16-13(18-12(7)15)24-6-11(21)17-9-2-1-8(19(22)23)3-10(9)20/h1-3,5,20H,6H2,(H,17,21)(H2,15,16,18)