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

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C23H24FN6O+ MolecularWeight: 419.474663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN6O/c1-31-21-8-7-17(13-20(21)24)15-28-9-11-29(12-10-28)22-19-14-27-30(23(19)26-16-25-22)18-5-3-2-4-6-18/h2-8,13-14,16H,9-12,15H2,1H3/p+1