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

Systemtic Name: 2-[8-butyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-(8-butyl-3-methyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-(8-butyl-3-methyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 2-(8-butyl-3-methyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-(8-butyl-2,6-diketo-3-methyl-purin-7-yl)acetic acid Formula: C12H16N4O4 MolecularWeight: 280.27984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC(=O)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCC1=NC2=C(N1CC(=O)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O4/c1-3-4-5-7-13-10-9(16(7)6-8(17)18)11(19)14-12(20)15(10)2/h3-6H2,1-2H3,(H,17,18)(H,14,19,20)