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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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