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

Systemtic Name: 2-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzamide Openeye Name: 2-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzamide CAS Name: 2-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]benzamide IUPAC Name: 2-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzamide Traditional Name: 2-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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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=C4C(=O)N

Isomeric SMILES

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C23H23N5O2/c1-23(2,3)28-12-17(19-20(24)26-13-27-22(19)28)14-8-10-15(11-9-14)30-18-7-5-4-6-16(18)21(25)29/h4-13H,1-3H3,(H2,25,29)(H2,24,26,27)