2-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3,5-diethylphenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3,5-diethylphenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)CC

Isomeric SMILES

CCC1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)CC

InChI

InChI=1S/C21H30N4OS/c1-3-17-14-18(4-2)16-19(15-17)25-11-9-24(10-12-25)8-5-13-27-21-22-7-6-20(26)23-21/h6-7,14-16H,3-5,8-13H2,1-2H3,(H,22,23,26)