2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H23N4O3S2+ MolecularWeight: 467.58372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C23H22N4O3S2/c28-22-21-16(19-2-1-9-31-19)13-32-23(21)25-20(24-22)12-27-7-5-26(6-8-27)11-15-3-4-17-18(10-15)30-14-29-17/h1-4,9-10,13H,5-8,11-12,14H2,(H,24,25,28)/p+1