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

Systemtic Name: 5-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chloranylphenoxy)phenol Openeye Name: 5-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chlorophenoxy)phenol CAS Name: 5-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-(3-chlorophenoxy)phenol IUPAC Name: 5-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chlorophenoxy)phenol Traditional Name: 5-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chlorophenoxy)phenol Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2/c1-22(2,3)27-11-16(19-20(24)25-12-26-21(19)27)13-7-8-18(17(28)9-13)29-15-6-4-5-14(23)10-15/h4-12,28H,1-3H3,(H2,24,25,26)