N-(cyanomethyl)-4-methyl-2-[[4-(2-piperazin-1-ylpyrimidin-5-yl)-1,2-thiazol-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(2-piperazin-1-ylpyrimidin-5-yl)-1,2-thiazol-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(2-piperazin-1-ylpyrimidin-5-yl)isothiazol-3-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-(1-piperazinyl)-5-pyrimidinyl]-3-isothiazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(2-piperazin-1-ylpyrimidin-5-yl)-1,2-thiazol-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(2-piperazinopyrimidin-5-yl)isothiazol-3-yl]amino]valeramide Formula: C19H26N8OS MolecularWeight: 414.52774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NSC=C1C2=CN=C(N=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=NSC=C1C2=CN=C(N=C2)N3CCNCC3

InChI

InChI=1S/C19H26N8OS/c1-13(2)9-16(18(28)22-4-3-20)25-17-15(12-29-26-17)14-10-23-19(24-11-14)27-7-5-21-6-8-27/h10-13,16,21H,4-9H2,1-2H3,(H,22,28)(H,25,26)