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

Systemtic Name: 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(6-methylheptan-2-yl)ethanamide Openeye Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]-N-(1,5-dimethylhexyl)acetamide CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]-N-(6-methylheptan-2-yl)acetamide IUPAC Name: 2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanyl-N-(6-methylheptan-2-yl)acetamide Traditional Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)thio]-N-(1,5-dimethylhexyl)acetamide Formula: C16H25N5OS MolecularWeight: 335.4676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5OS/c1-10(2)5-4-6-11(3)20-15(22)9-23-16-12(8-17)13(18)7-14(19)21-16/h7,10-11H,4-6,9H2,1-3H3,(H,20,22)(H4,18,19,21)