1-[(3S)-3-[5-methyl-2-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[5-methyl-2-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[5-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidin-4-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[5-methyl-2-[[(2R)-2-oxolanyl]methylthio]-4-pyrimidinyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3S)-3-[5-methyl-2-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(3S)-3-[5-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]pyrimidin-4-yl]piperidino]-2-(phenylthio)ethanone Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CSC3=CC=CC=C3)SCC4CCCO4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)CSC3=CC=CC=C3)SC[C@H]4CCCO4

InChI

InChI=1S/C23H29N3O2S2/c1-17-13-24-23(30-15-19-8-6-12-28-19)25-22(17)18-7-5-11-26(14-18)21(27)16-29-20-9-3-2-4-10-20/h2-4,9-10,13,18-19H,5-8,11-12,14-16H2,1H3/t18-,19+/m0/s1