2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)O

InChI

InChI=1S/C23H22N4O2S/c28-18-8-6-17(7-9-18)27-12-10-26(11-13-27)15-21-24-22(29)19-14-20(30-23(19)25-21)16-4-2-1-3-5-16/h1-9,14,28H,10-13,15H2,(H,24,25,29)/p+1