2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-[(1,3-benzothiazol-2-ylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C24H24N5O3S2+ MolecularWeight: 494.60906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C24H23N5O3S2/c30-22-12-17(14-33-24-26-18-3-1-2-4-21(18)34-24)25-23(27-22)29-9-7-28(8-10-29)13-16-5-6-19-20(11-16)32-15-31-19/h1-6,11-12H,7-10,13-15H2,(H,25,27,30)/p+1