2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3OS/c1-15-12-16(2)22-20(21-15)25-14-19(24)23-10-8-18(9-11-23)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3