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

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

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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=C(C=C4)N

Isomeric SMILES

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

InChI

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