4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[2-(3-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O2/c1-31-20-8-5-9-21(16-20)32-15-14-28-10-12-29(13-11-28)23-22-17-27-30(24(22)26-18-25-23)19-6-3-2-4-7-19/h2-9,16-18H,10-15H2,1H3/p+1