2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(1S)-3-methyl-1-phenyl-butyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(1S)-3-methyl-1-phenyl-butyl]ethanamide Openeye Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]-N-[(1S)-3-methyl-1-phenyl-butyl]acetamide CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide IUPAC Name: 2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide Traditional Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)thio]-N-[(1S)-3-methyl-1-phenyl-butyl]acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)N)N)C#N

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)N)N)C#N

InChI

InChI=1S/C19H23N5OS/c1-12(2)8-16(13-6-4-3-5-7-13)23-18(25)11-26-19-14(10-20)15(21)9-17(22)24-19/h3-7,9,12,16H,8,11H2,1-2H3,(H,23,25)(H4,21,22,24)/t16-/m0/s1