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

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

Isomeric SMILES

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

InChI

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