N-[3,4-bis(fluoranyl)phenyl]-1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-methyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N-(3,4-difluorophenyl)-1-methyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N-(3,4-difluorophenyl)-1-methyl-4-(1-piperidinyl)-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3,4-difluorophenyl)-1-methyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: (3,4-difluorophenyl)-(1-methyl-4-piperidino-pyrazolo[3,4-d]pyrimidin-6-yl)amine Formula: C17H18F2N6 MolecularWeight: 344.361826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)F)F)N4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)F)F)N4CCCCC4

InChI

InChI=1S/C17H18F2N6/c1-24-15-12(10-20-24)16(25-7-3-2-4-8-25)23-17(22-15)21-11-5-6-13(18)14(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22,23)