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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C28H27N4OS2+ MolecularWeight: 499.67018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H26N4OS2/c33-27-25-22(23-12-7-17-34-23)19-35-28(25)30-24(29-27)18-31-13-15-32(16-14-31)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,19,26H,13-16,18H2,(H,29,30,33)/p+1