2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-4-pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=NC(=C2C(C)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=NC(=C2[C@H](C)O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-14-9-11-24(12-10-14)18(26)13-27-21-19(16(3)25)15(2)22-20(23-21)17-7-5-4-6-8-17/h4-8,14,16,25H,9-13H2,1-3H3/t16-/m0/s1