3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(phenylcarbonyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(phenylcarbonyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzoyl-1-piperidyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-(4-benzoyl-1-piperidinyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-(4-benzoylpiperidin-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-(4-benzoylpiperidino)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-15-19(16(2)24-22(23-15)28-3)9-10-20(26)25-13-11-18(12-14-25)21(27)17-7-5-4-6-8-17/h4-8,18H,9-14H2,1-3H3