(2S)-N-(cyanomethyl)-4-methyl-2-[(2-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(2-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(2-thiomorpholinopyrimidin-4-yl)amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(2-thiomorpholin-4-yl-4-pyrimidinyl)amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(2-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(2-thiomorpholinopyrimidin-4-yl)amino]valeramide Formula: C16H24N6OS MolecularWeight: 348.46636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC(=NC=C1)N2CCSCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCSCC2

InChI

InChI=1S/C16H24N6OS/c1-12(2)11-13(15(23)18-6-4-17)20-14-3-5-19-16(21-14)22-7-9-24-10-8-22/h3,5,12-13H,6-11H2,1-2H3,(H,18,23)(H,19,20,21)/t13-/m0/s1