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

Systemtic Name: 3-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloranyl-phenoxy]phenol Openeye Name: 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloro-phenoxy]phenol CAS Name: 3-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-chlorophenoxy]phenol IUPAC Name: 3-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenoxy]phenol Traditional Name: 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloro-phenoxy]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)O)Cl

Isomeric SMILES

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

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(23)9-13)29-15-6-4-5-14(28)10-15/h4-12,28H,1-3H3,(H2,24,25,26)