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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H14N6O4S/c1-8(26-15-18-7-9(6-16)13(17)20-15)14(22)19-11-4-3-10(25-2)5-12(11)21(23)24/h3-5,7-8H,1-2H3,(H,19,22)(H2,17,18,20)