1-[(3S)-3-phenylazanylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-phenylazanylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-anilino-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-anilino-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-anilinopiperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-anilinopiperidino]-2-(2-pyrimidylthio)ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=NC=CC=N2)NC3=CC=CC=C3

InChI

InChI=1S/C17H20N4OS/c22-16(13-23-17-18-9-5-10-19-17)21-11-4-8-15(12-21)20-14-6-2-1-3-7-14/h1-3,5-7,9-10,15,20H,4,8,11-13H2/t15-/m0/s1