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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C14H12N6O4S MolecularWeight: 360.34788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H12N6O4S/c1-24-11-4-9(20(22)23)2-3-10(11)18-12(21)7-25-14-17-6-8(5-15)13(16)19-14/h2-4,6H,7H2,1H3,(H,18,21)(H2,16,17,19)