2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-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]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-phenyl-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]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C26H26N4O2S/c31-25-21-15-23(19-4-2-1-3-5-19)33-26(21)28-24(27-25)17-30-11-9-29(10-12-30)16-18-6-7-22-20(14-18)8-13-32-22/h1-7,14-15H,8-13,16-17H2,(H,27,28,31)/p+1