(2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenylpiperazino)pyrimidin-4-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(=NC=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N7O/c1-17(2)16-19(21(30)24-11-9-23)26-20-8-10-25-22(27-20)29-14-12-28(13-15-29)18-6-4-3-5-7-18/h3-8,10,17,19H,11-16H2,1-2H3,(H,24,30)(H,25,26,27)/t19-/m0/s1