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

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C18H21FN6O MolecularWeight: 356.397343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C18H21FN6O/c1-23-17-14(10-22-23)18(21-12-20-17)25-7-5-24(6-8-25)11-13-3-4-16(26-2)15(19)9-13/h3-4,9-10,12H,5-8,11H2,1-2H3