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

Systemtic Name: 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-octan-2-yl-ethanamide Openeye Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]-N-(1-methylheptyl)acetamide CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]-N-octan-2-ylacetamide IUPAC Name: 2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanyl-N-octan-2-ylacetamide Traditional Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)thio]-N-(1-methylheptyl)acetamide Formula: C16H25N5OS MolecularWeight: 335.4676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5OS/c1-3-4-5-6-7-11(2)20-15(22)10-23-16-12(9-17)13(18)8-14(19)21-16/h8,11H,3-7,10H2,1-2H3,(H,20,22)(H4,18,19,21)