2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C9H9BrN4O4 MolecularWeight: 317.09616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)O

InChI

InChI=1S/C9H9BrN4O4/c1-12-6-5(7(17)13(2)9(12)18)14(3-4(15)16)8(10)11-6/h3H2,1-2H3,(H,15,16)