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

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]valeramide Formula: C21H28N8O MolecularWeight: 408.50002

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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=N3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N8O/c1-16(2)15-17(20(30)24-10-7-22)26-18-6-9-25-21(27-18)29-13-11-28(12-14-29)19-5-3-4-8-23-19/h3-6,8-9,16-17H,10-15H2,1-2H3,(H,24,30)(H,25,26,27)/t17-/m0/s1