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

Systemtic Name: 4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(hydroxymethyl)cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(hydroxymethyl)cyclohexanol CAS Name: 4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-(hydroxymethyl)-1-cyclohexanol IUPAC Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(hydroxymethyl)cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-methylol-cyclohexanol Formula: C25H26N4O3 MolecularWeight: 430.49894

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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)(CO)O

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CO)O

InChI

InChI=1S/C25H26N4O3/c26-23-22-21(17-6-8-20(9-7-17)32-19-4-2-1-3-5-19)14-29(24(22)28-16-27-23)18-10-12-25(31,15-30)13-11-18/h1-9,14,16,18,30-31H,10-13,15H2,(H2,26,27,28)