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

Systemtic Name: 2-[3-[4-(3-methylsulfonylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3-methylsulfonylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3-methylsulfonylphenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3-methylsulfonylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3-mesylphenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S2/c1-27(24,25)16-5-2-4-15(14-16)22-11-9-21(10-12-22)8-3-13-26-18-19-7-6-17(23)20-18/h2,4-7,14H,3,8-13H2,1H3,(H,19,20,23)