(2S)-N-(cyanomethyl)-4-methyl-2-[[2-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(3-phenyl-1-pyrrolidinyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-(3-phenylpyrrolidino)pyrimidin-4-yl]amino]valeramide Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC(=NC=C1)N2CCC(C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCC(C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N6O/c1-16(2)14-19(21(29)24-12-10-23)26-20-8-11-25-22(27-20)28-13-9-18(15-28)17-6-4-3-5-7-17/h3-8,11,16,18-19H,9,12-15H2,1-2H3,(H,24,29)(H,25,26,27)/t18?,19-/m0/s1