N-(4-fluorophenyl)-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-fluorophenyl)-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-fluorophenyl)-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-fluorophenyl)-1-methyl-6-(4-phenyl-1-piperazinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-fluorophenyl)-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-fluorophenyl)-[1-methyl-6-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22FN7 MolecularWeight: 403.455383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)NC5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)NC5=CC=C(C=C5)F

InChI

InChI=1S/C22H22FN7/c1-28-21-19(15-24-28)20(25-17-9-7-16(23)8-10-17)26-22(27-21)30-13-11-29(12-14-30)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,26,27)