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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-pyrazolo[3,4-d]pyrimidine Formula: C29H29N6+ MolecularWeight: 461.58076

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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=NN5CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4C=NN5CC6=CC=CC=C6

InChI

InChI=1S/C29H28N6/c1-4-10-23(11-5-1)21-35-29-26(20-32-35)28(30-22-31-29)34-18-16-33(17-19-34)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20,22,27H,16-19,21H2/p+1