5-[4-(4-bromanylphenoxy)phenyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-[4-(4-bromanylphenoxy)phenyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-[4-(4-bromophenoxy)phenyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-[4-(4-bromophenoxy)phenyl]-7-(2,2-dimethylpropyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-[4-(4-bromophenoxy)phenyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-[4-(4-bromophenoxy)phenyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C23H23BrN4O MolecularWeight: 451.35892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)CN1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O/c1-23(2,3)13-28-12-19(20-21(25)26-14-27-22(20)28)15-4-8-17(9-5-15)29-18-10-6-16(24)7-11-18/h4-12,14H,13H2,1-3H3,(H2,25,26,27)