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

Systemtic Name: 5-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-phenoxy-benzamide Openeye Name: 5-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-phenoxy-benzamide CAS Name: 5-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-phenoxybenzamide IUPAC Name: 5-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-phenoxybenzamide Traditional Name: 5-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-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=C4)C(=O)N

Isomeric SMILES

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

InChI

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