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

Systemtic Name: 7-tert-butyl-5-[4-(3-chloranylphenoxy)-2-methyl-phenyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-tert-butyl-5-[4-(3-chlorophenoxy)-2-methyl-phenyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-tert-butyl-5-[4-(3-chlorophenoxy)-2-methylphenyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-tert-butyl-5-[4-(3-chlorophenoxy)-2-methylphenyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-tert-butyl-5-[4-(3-chlorophenoxy)-2-methyl-phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C23H23ClN4O MolecularWeight: 406.90792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC=C2)Cl)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC=C2)Cl)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

InChI

InChI=1S/C23H23ClN4O/c1-14-10-17(29-16-7-5-6-15(24)11-16)8-9-18(14)19-12-28(23(2,3)4)22-20(19)21(25)26-13-27-22/h5-13H,1-4H3,(H2,25,26,27)