4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C28H27N6+ MolecularWeight: 447.55418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C28H26N6/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)32-16-18-33(19-17-32)27-25-20-31-34(28(25)30-21-29-27)24-14-8-3-9-15-24/h1-15,20-21,26H,16-19H2/p+1