5-[4-azanyl-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenol

Systemtic Name: 5-[4-azanyl-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenol Openeye Name: 5-[4-amino-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenol CAS Name: 5-[4-amino-1-(4-piperidinylmethyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenol IUPAC Name: 5-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol Traditional Name: 5-[4-amino-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenol Formula: C17H19FN6O MolecularWeight: 342.370763

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C3=C(C(=N2)C4=CC(=C(C=C4)F)O)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1CN2C3=C(C(=N2)C4=CC(=C(C=C4)F)O)C(=NC=N3)N

InChI

InChI=1S/C17H19FN6O/c18-12-2-1-11(7-13(12)25)15-14-16(19)21-9-22-17(14)24(23-15)8-10-3-5-20-6-4-10/h1-2,7,9-10,20,25H,3-6,8H2,(H2,19,21,22)