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

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-oxidanyl-4-phenyl-piperidin-1-yl)pyrimidin-4-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[[2-(4-hydroxy-4-phenyl-1-piperidyl)pyrimidin-4-yl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-(cyanomethyl)-2-[[2-(4-hydroxy-4-phenyl-1-piperidinyl)-4-pyrimidinyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[[2-(4-hydroxy-4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-methylpentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[[2-(4-hydroxy-4-phenyl-piperidino)pyrimidin-4-yl]amino]-4-methyl-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)(C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O2/c1-17(2)16-19(21(30)25-13-11-24)27-20-8-12-26-22(28-20)29-14-9-23(31,10-15-29)18-6-4-3-5-7-18/h3-8,12,17,19,31H,9-10,13-16H2,1-2H3,(H,25,30)(H,26,27,28)/t19-/m0/s1