N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-ylpyridin-3-yl)-1,2-thiazol-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-ylpyridin-3-yl)-1,2-thiazol-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-yl-3-pyridyl)isothiazol-3-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(1-piperazinyl)-3-pyridinyl]-3-isothiazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-ylpyridin-3-yl)-1,2-thiazol-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazino-3-pyridyl)isothiazol-3-yl]amino]valeramide Formula: C20H27N7OS MolecularWeight: 413.53968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7OS/c1-14(2)11-17(20(28)23-6-5-21)25-19-16(13-29-26-19)15-3-4-18(24-12-15)27-9-7-22-8-10-27/h3-4,12-14,17,22H,6-11H2,1-2H3,(H,23,28)(H,25,26)