4-[4-azanyl-3-(6-phenoxypyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one

Systemtic Name: 4-[4-azanyl-3-(6-phenoxypyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-3-(6-phenoxy-3-pyridyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone CAS Name: 4-[4-amino-3-(6-phenoxy-3-pyridinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-3-(6-phenoxypyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-3-(6-phenoxy-3-pyridyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1N2C3=C(C(=N2)C4=CN=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1CC(=O)CCC1N2C3=C(C(=N2)C4=CN=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C22H20N6O2/c23-21-19-20(14-6-11-18(24-12-14)30-17-4-2-1-3-5-17)27-28(22(19)26-13-25-21)15-7-9-16(29)10-8-15/h1-6,11-13,15H,7-10H2,(H2,23,25,26)