7-(4-azanylcyclohexyl)-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(4-azanylcyclohexyl)-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-aminocyclohexyl)-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-aminocyclohexyl)-5-(3-phenylmethoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-aminocyclohexyl)-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amine Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c26-19-9-11-20(12-10-19)30-14-22(23-24(27)28-16-29-25(23)30)18-7-4-8-21(13-18)31-15-17-5-2-1-3-6-17/h1-8,13-14,16,19-20H,9-12,15,26H2,(H2,27,28,29)