3-(4-azanyl-3-fluoranyl-phenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-azanyl-3-fluoranyl-phenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-amino-3-fluoro-phenyl)-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-amino-3-fluorophenyl)-1-(4-piperidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-amino-3-fluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-amino-3-fluoro-phenyl)-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H18FN7 MolecularWeight: 327.359423

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N

InChI

InChI=1S/C16H18FN7/c17-11-7-9(1-2-12(11)18)14-13-15(19)21-8-22-16(13)24(23-14)10-3-5-20-6-4-10/h1-2,7-8,10,20H,3-6,18H2,(H2,19,21,22)