4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol

Systemtic Name: 4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanol CAS Name: 4-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanol IUPAC Name: 4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanol Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C25H26N4O2/c26-24-23-22(14-29(25(23)28-16-27-24)19-9-11-20(30)12-10-19)18-7-4-8-21(13-18)31-15-17-5-2-1-3-6-17/h1-8,13-14,16,19-20,30H,9-12,15H2,(H2,26,27,28)