3-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]phenol

Systemtic Name: 3-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]phenol Openeye Name: 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]phenol CAS Name: 3-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]phenol IUPAC Name: 3-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]phenol Traditional Name: 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]phenol Formula: C22H22N4O2 MolecularWeight: 374.43568

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2/c1-22(2,3)26-12-18(19-20(23)24-13-25-21(19)26)14-7-9-16(10-8-14)28-17-6-4-5-15(27)11-17/h4-13,27H,1-3H3,(H2,23,24,25)