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

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Formula: C17H20FN6O+ MolecularWeight: 343.378703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4)F

InChI

InChI=1S/C17H19FN6O/c1-25-15-3-2-12(8-14(15)18)10-23-4-6-24(7-5-23)17-13-9-21-22-16(13)19-11-20-17/h2-3,8-9,11H,4-7,10H2,1H3,(H,19,20,21,22)/p+1