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

Systemtic Name: 7-tert-butyl-5-[4-(2-chloranylphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-tert-butyl-5-[4-(2-chlorophenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-tert-butyl-5-[4-(2-chlorophenoxy)phenyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-tert-butyl-5-[4-(2-chlorophenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-tert-butyl-5-[4-(2-chlorophenoxy)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=C4Cl

Isomeric SMILES

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4Cl

InChI

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