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

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetic acid Formula: C8H7BrN4O4 MolecularWeight: 303.06958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)O

InChI

InChI=1S/C8H7BrN4O4/c1-12-5-4(6(16)11-8(12)17)13(2-3(14)15)7(9)10-5/h2H2,1H3,(H,14,15)(H,11,16,17)