2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C13H10N6O3S MolecularWeight: 330.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O3S/c14-5-8-6-16-13(18-12(8)15)23-7-11(20)17-9-3-1-2-4-10(9)19(21)22/h1-4,6H,7H2,(H,17,20)(H2,15,16,18)