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

Systemtic Name: 5-[4-(3-azanylphenoxy)phenyl]-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-[4-(3-aminophenoxy)phenyl]-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-[4-(3-aminophenoxy)phenyl]-7-tert-butyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-[4-(3-aminophenoxy)phenyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]phenyl]amine Formula: C22H23N5O MolecularWeight: 373.45092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-7-9-16(10-8-14)28-17-6-4-5-15(23)11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)