N-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]carbamoyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[4-[[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]carbamoyl]phenyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C24H30N8O3 MolecularWeight: 478.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N8O3/c1-17(2)16-20(22(34)26-11-8-25)30-21(33)18-4-6-19(7-5-18)29-24(35)32-14-12-31(13-15-32)23-27-9-3-10-28-23/h3-7,9-10,17,20H,11-16H2,1-2H3,(H,26,34)(H,29,35)(H,30,33)/t20-/m0/s1