2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]sulfanyl-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-4-pyrimidinyl]thio]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenylpyrimidin-4-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC(=C2C(C)O)C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC(=NC(=C2[C@H](C)O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-14-8-7-11-24(12-14)18(26)13-27-21-19(16(3)25)15(2)22-20(23-21)17-9-5-4-6-10-17/h4-6,9-10,14,16,25H,7-8,11-13H2,1-3H3/t14-,16-/m0/s1