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

Systemtic Name: 1-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C22H23N6+ MolecularWeight: 371.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H22N6/c1-3-7-18(8-4-1)16-26-11-13-27(14-12-26)21-20-15-25-28(22(20)24-17-23-21)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2/p+1