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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-cyano-4-nitrophenyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-cyano-4-nitrophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-cyano-4-nitro-phenyl)propionamide Formula: C15H11N7O3S MolecularWeight: 369.35794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N7O3S/c1-8(26-15-19-7-10(6-17)13(18)21-15)14(23)20-12-3-2-11(22(24)25)4-9(12)5-16/h2-4,7-8H,1H3,(H,20,23)(H2,18,19,21)