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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-p-anisylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C23H25N6O+ MolecularWeight: 401.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O/c1-30-20-9-7-18(8-10-20)16-27-11-13-28(14-12-27)22-21-15-26-29(23(21)25-17-24-22)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3/p+1