6-[(4-methylphenyl)sulfanylmethyl]-2-piperidin-1-yl-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-piperidin-1-yl-1H-pyrimidin-4-one Openeye Name: 2-(1-piperidyl)-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-(1-piperidinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-piperidin-1-yl-1H-pyrimidin-4-one Traditional Name: 2-piperidino-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCCCC3

InChI

InChI=1S/C17H21N3OS/c1-13-5-7-15(8-6-13)22-12-14-11-16(21)19-17(18-14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,18,19,21)