2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C26H25N7O2 MolecularWeight: 467.5224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CC(=O)NCCCN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CC(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C26H25N7O2/c27-25-24-22(19-7-9-21(10-8-19)35-20-5-2-1-3-6-20)15-33(26(24)31-17-30-25)16-23(34)29-11-4-13-32-14-12-28-18-32/h1-3,5-10,12,14-15,17-18H,4,11,13,16H2,(H,29,34)(H2,27,30,31)