7-(8-azanyloctyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(8-azanyloctyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(8-aminooctyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(8-aminooctyl)-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(8-aminooctyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(8-aminooctyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CCCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CCCCCCCCN

InChI

InChI=1S/C26H31N5O/c27-16-8-3-1-2-4-9-17-31-18-23(24-25(28)29-19-30-26(24)31)20-12-14-22(15-13-20)32-21-10-6-5-7-11-21/h5-7,10-15,18-19H,1-4,8-9,16-17,27H2,(H2,28,29,30)