4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(1H-imidazol-2-ylmethyl)cyclohexan-1-ol

Systemtic Name: 4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(1H-imidazol-2-ylmethyl)cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(1H-imidazol-2-ylmethyl)cyclohexanol CAS Name: 4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-(1H-imidazol-2-ylmethyl)-1-cyclohexanol IUPAC Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(1H-imidazol-2-ylmethyl)cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(1H-imidazol-2-ylmethyl)cyclohexanol Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CC6=NC=CN6)O

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CC6=NC=CN6)O

InChI

InChI=1S/C28H28N6O2/c29-26-25-23(19-6-8-22(9-7-19)36-21-4-2-1-3-5-21)17-34(27(25)33-18-32-26)20-10-12-28(35,13-11-20)16-24-30-14-15-31-24/h1-9,14-15,17-18,20,35H,10-13,16H2,(H,30,31)(H2,29,32,33)