N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[5-[4-(1-piperazinyl)phenyl]-2-pyrimidinyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazinophenyl)pyrimidin-2-yl]amino]valeramide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC=C(C=N1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=NC=C(C=N1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C22H29N7O/c1-16(2)13-20(21(30)25-8-7-23)28-22-26-14-18(15-27-22)17-3-5-19(6-4-17)29-11-9-24-10-12-29/h3-6,14-16,20,24H,8-13H2,1-2H3,(H,25,30)(H,26,27,28)