6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-keto-2-(4-piperonylpiperazino)ethyl]-1H-pyrimidin-4-one Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC(=O)N=C(N4)SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC(=O)N=C(N4)SCC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O4S/c30-23-13-20(26-25(27-23)34-16-18-4-2-1-3-5-18)14-24(31)29-10-8-28(9-11-29)15-19-6-7-21-22(12-19)33-17-32-21/h1-7,12-13H,8-11,14-17H2,(H,26,27,30)