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

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N4O2S2+ MolecularWeight: 465.6109

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=NC5=C(C(=CS5)C6=CC=CS6)C(=O)N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=NC5=C(C(=CS5)C6=CC=CS6)C(=O)N4

InChI

InChI=1S/C24H24N4O2S2/c29-23-22-18(20-2-1-11-31-20)15-32-24(22)26-21(25-23)14-28-8-6-27(7-9-28)13-16-3-4-19-17(12-16)5-10-30-19/h1-4,11-12,15H,5-10,13-14H2,(H,25,26,29)/p+1