4-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(2-bromo-4-fluoro-phenyl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(2-bromo-4-fluorophenyl)methyl]-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(2-bromo-4-fluoro-benzyl)piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C17H18BrFN6 MolecularWeight: 405.267423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN6/c1-23-16-14(9-22-23)17(21-11-20-16)25-6-4-24(5-7-25)10-12-2-3-13(19)8-15(12)18/h2-3,8-9,11H,4-7,10H2,1H3