2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-heptan-2-yl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-heptan-2-yl-ethanamide Openeye Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]-N-heptan-2-ylacetamide IUPAC Name: 2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanyl-N-heptan-2-ylacetamide Traditional Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)thio]-N-(1-methylhexyl)acetamide Formula: C15H23N5OS MolecularWeight: 321.44102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=C(C(=CC(=N1)N)N)C#N

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=C(C(=CC(=N1)N)N)C#N

InChI

InChI=1S/C15H23N5OS/c1-3-4-5-6-10(2)19-14(21)9-22-15-11(8-16)12(17)7-13(18)20-15/h7,10H,3-6,9H2,1-2H3,(H,19,21)(H4,17,18,20)