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

Systemtic Name: 4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol Openeye Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanol CAS Name: 4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanol IUPAC Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol Traditional Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanol Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/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/h1-7,12-14,16-17,29H,8-11H2,(H2,24,25,26)