2-[7-[4-(3-methylphenyl)piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[7-[4-(3-methylphenyl)piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[7-[4-(m-tolyl)piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[7-[4-(3-methylphenyl)-1-piperazinyl]heptylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[7-[4-(3-methylphenyl)piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[7-[4-(m-tolyl)piperazino]heptylthio]-1H-pyrimidin-6-one Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCCCSC3=NC=CC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCCCSC3=NC=CC(=O)N3

InChI

InChI=1S/C22H32N4OS/c1-19-8-7-9-20(18-19)26-15-13-25(14-16-26)12-5-3-2-4-6-17-28-22-23-11-10-21(27)24-22/h7-11,18H,2-6,12-17H2,1H3,(H,23,24,27)