1-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]pyrimidin-2-yl]piperidine-3-carboxamide

Systemtic Name: 1-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]pyrimidin-2-yl]piperidine-3-carboxamide Openeye Name: 1-[4-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]amino]pyrimidin-2-yl]piperidine-3-carboxamide CAS Name: 1-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]-2-pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: 1-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]pyrimidin-2-yl]piperidine-3-carboxamide Traditional Name: 1-[4-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]amino]pyrimidin-2-yl]nipecotamide Formula: C18H27N7O2 MolecularWeight: 373.45268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC(=NC=C1)N2CCCC(C2)C(=O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCCC(C2)C(=O)N

InChI

InChI=1S/C18H27N7O2/c1-12(2)10-14(17(27)21-8-6-19)23-15-5-7-22-18(24-15)25-9-3-4-13(11-25)16(20)26/h5,7,12-14H,3-4,8-11H2,1-2H3,(H2,20,26)(H,21,27)(H,22,23,24)/t13?,14-/m0/s1