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

Systemtic Name: 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanoic acid Openeye Name: 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetic acid CAS Name: 2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)acetic acid IUPAC Name: 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid Traditional Name: 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)acetic acid Formula: C10H12N4O4 MolecularWeight: 252.22668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC(=O)O

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC(=O)O

InChI

InChI=1S/C10H12N4O4/c1-12-5(4-6(15)16)11-8-7(12)9(17)14(3)10(18)13(8)2/h4H2,1-3H3,(H,15,16)