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

Systemtic Name: 4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone CAS Name: 4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone Formula: C23H21N5O2 MolecularWeight: 399.44514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c24-22-20-21(15-6-12-19(13-7-15)30-18-4-2-1-3-5-18)27-28(23(20)26-14-25-22)16-8-10-17(29)11-9-16/h1-7,12-14,16H,8-11H2,(H2,24,25,26)