4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C27H25N4S2+ MolecularWeight: 469.6442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C(=CSC5=NC=N4)C6=CC=CS6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C(=CSC5=NC=N4)C6=CC=CS6

InChI

InChI=1S/C27H24N4S2/c1-3-8-20(9-4-1)25(21-10-5-2-6-11-21)30-13-15-31(16-14-30)26-24-22(23-12-7-17-32-23)18-33-27(24)29-19-28-26/h1-12,17-19,25H,13-16H2/p+1