1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-cumidinopiperidino]-2-(2-pyrimidylthio)ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H26N4OS/c1-15(2)16-6-8-17(9-7-16)23-18-5-3-12-24(13-18)19(25)14-26-20-21-10-4-11-22-20/h4,6-11,15,18,23H,3,5,12-14H2,1-2H3/t18-/m0/s1