7-tert-butyl-5-(4-phenoxyphenyl)-6-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-tert-butyl-5-(4-phenoxyphenyl)-6-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-tert-butyl-5-(4-phenoxyphenyl)-6-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-tert-butyl-5-(4-phenoxyphenyl)-6-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-tert-butyl-5-(4-phenoxyphenyl)-6-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-tert-butyl-5-(4-phenoxyphenyl)-6-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C(=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O/c1-28(2,3)32-25(20-10-6-4-7-11-20)23(24-26(29)30-18-31-27(24)32)19-14-16-22(17-15-19)33-21-12-8-5-9-13-21/h4-18H,1-3H3,(H2,29,30,31)