1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[5-(2-chlorophenyl)-4-pyrimidinyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidino]-2-(2-pyrimidylthio)ethanone Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C3=NC=NC=C3C4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=NC=CC=N2)C3=NC=NC=C3C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5OS/c22-18-7-2-1-6-16(18)17-11-23-14-26-20(17)15-5-3-10-27(12-15)19(28)13-29-21-24-8-4-9-25-21/h1-2,4,6-9,11,14-15H,3,5,10,12-13H2/t15-/m0/s1