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

Systemtic Name: 6-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-chloro-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C28H26ClN6+ MolecularWeight: 481.99924

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN6/c29-28-31-26(24-20-30-35(27(24)32-28)23-14-8-3-9-15-23)34-18-16-33(17-19-34)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,25H,16-19H2/p+1