2-[5-[4-(3-methylphenyl)piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[5-[4-(3-methylphenyl)piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[5-[4-(m-tolyl)piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[5-[4-(3-methylphenyl)-1-piperazinyl]pentylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[5-[4-(3-methylphenyl)piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[5-[4-(m-tolyl)piperazino]pentylthio]-1H-pyrimidin-6-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCSC3=NC=CC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCCSC3=NC=CC(=O)N3

InChI

InChI=1S/C20H28N4OS/c1-17-6-5-7-18(16-17)24-13-11-23(12-14-24)10-3-2-4-15-26-20-21-9-8-19(25)22-20/h5-9,16H,2-4,10-15H2,1H3,(H,21,22,25)