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

Systemtic Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H27N6O+ MolecularWeight: 415.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O/c1-19-7-9-21(10-8-19)31-16-15-28-11-13-29(14-12-28)23-22-17-27-30(24(22)26-18-25-23)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3/p+1