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

Systemtic Name: 5-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chloranylphenoxy)benzamide Openeye Name: 5-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chlorophenoxy)benzamide CAS Name: 5-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-(3-chlorophenoxy)benzamide IUPAC Name: 5-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chlorophenoxy)benzamide Traditional Name: 5-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-(3-chlorophenoxy)benzamide Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O2/c1-23(2,3)29-11-17(19-20(25)27-12-28-22(19)29)13-7-8-18(16(9-13)21(26)30)31-15-6-4-5-14(24)10-15/h4-12H,1-3H3,(H2,26,30)(H2,25,27,28)