1-[2-(2-azanyl-7H-purin-6-yl)phenyl]ethanone

Systemtic Name: 1-[2-(2-azanyl-7H-purin-6-yl)phenyl]ethanone Openeye Name: 1-[2-(2-amino-7H-purin-6-yl)phenyl]ethanone CAS Name: 1-[2-(2-amino-7H-purin-6-yl)phenyl]ethanone IUPAC Name: 1-[2-(2-amino-7H-purin-6-yl)phenyl]ethanone Traditional Name: 1-[2-(2-amino-7H-purin-6-yl)phenyl]ethanone Formula: C13H11N5O MolecularWeight: 253.25934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=C3C(=NC(=N2)N)N=CN3

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=C3C(=NC(=N2)N)N=CN3

InChI

InChI=1S/C13H11N5O/c1-7(19)8-4-2-3-5-9(8)10-11-12(16-6-15-11)18-13(14)17-10/h2-6H,1H3,(H3,14,15,16,17,18)