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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=CC=C3)F)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=CC=C3)F)N4CCN(CC4)C5=CC=CC=C5

InChI

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