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

Systemtic Name: 1-(phenylmethyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-(4-benzylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(phenylmethyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-(4-benzylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-(4-benzylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C23H24N6/c1-3-7-19(8-4-1)16-27-11-13-28(14-12-27)22-21-15-26-29(23(21)25-18-24-22)17-20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2/p+1