3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: 3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: 3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: 3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: 3-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C15H14N6O4S MolecularWeight: 374.37446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H14N6O4S/c1-25-12-6-10(21(23)24)2-3-11(12)19-13(22)4-5-26-15-18-8-9(7-16)14(17)20-15/h2-3,6,8H,4-5H2,1H3,(H,19,22)(H2,17,18,20)