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

Systemtic Name: 4-[4-azanyl-3-(4-azanyl-3-fluoranyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-3-(4-amino-3-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone CAS Name: 4-[4-amino-3-(4-amino-3-fluorophenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-3-(4-amino-3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-3-(4-amino-3-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone Formula: C17H17FN6O MolecularWeight: 340.354883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N

Isomeric SMILES

C1CC(=O)CCC1N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N

InChI

InChI=1S/C17H17FN6O/c18-12-7-9(1-6-13(12)19)15-14-16(20)21-8-22-17(14)24(23-15)10-2-4-11(25)5-3-10/h1,6-8,10H,2-5,19H2,(H2,20,21,22)