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

Systemtic Name: 4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[2-(1H-imidazol-2-ylmethylamino)ethyl]cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[2-(1H-imidazol-2-ylmethylamino)ethyl]cyclohexanol CAS Name: 4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-[2-(1H-imidazol-2-ylmethylamino)ethyl]-1-cyclohexanol IUPAC Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[2-(1H-imidazol-2-ylmethylamino)ethyl]cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[2-(1H-imidazol-2-ylmethylamino)ethyl]cyclohexanol Formula: C30H33N7O2 MolecularWeight: 523.62872

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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)(CCNCC6=NC=CN6)O

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CCNCC6=NC=CN6)O

InChI

InChI=1S/C30H33N7O2/c31-28-27-25(21-6-8-24(9-7-21)39-23-4-2-1-3-5-23)19-37(29(27)36-20-35-28)22-10-12-30(38,13-11-22)14-15-32-18-26-33-16-17-34-26/h1-9,16-17,19-20,22,32,38H,10-15,18H2,(H,33,34)(H2,31,35,36)