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

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenoxy-1-piperidyl)pyrimidin-4-yl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenoxy-1-piperidinyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-phenoxypiperidino)pyrimidin-4-yl]amino]valeramide Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC(=NC=C1)N2CCC(CC2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCC(CC2)OC3=CC=CC=C3

InChI

InChI=1S/C23H30N6O2/c1-17(2)16-20(22(30)25-13-11-24)27-21-8-12-26-23(28-21)29-14-9-19(10-15-29)31-18-6-4-3-5-7-18/h3-8,12,17,19-20H,9-10,13-16H2,1-2H3,(H,25,30)(H,26,27,28)/t20-/m0/s1