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

Systemtic Name: 4-[4-azanyl-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-5-(4-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone CAS Name: 4-[4-amino-5-(4-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-5-(4-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c26-24-23-22(14-29(25(23)28-16-27-24)19-8-10-20(30)11-9-19)18-6-12-21(13-7-18)31-15-17-4-2-1-3-5-17/h1-7,12-14,16,19H,8-11,15H2,(H2,26,27,28)