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

Systemtic Name: 7-tert-butyl-5-(3-chloranyl-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-tert-butyl-5-(3-chloro-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-tert-butyl-5-(3-chloro-4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-tert-butyl-5-(3-chloro-4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-tert-butyl-5-(3-chloro-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C22H21ClN4O MolecularWeight: 392.88134

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O/c1-22(2,3)27-12-16(19-20(24)25-13-26-21(19)27)14-9-10-18(17(23)11-14)28-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,24,25,26)