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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanoic acid Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)acetic acid CAS Name: 2-(3,7-dimethyl-2,6-dioxo-8-purinyl)acetic acid IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)acetic acid Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-8-yl)acetic acid Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2C)CC(=O)O

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2C)CC(=O)O

InChI

InChI=1S/C9H10N4O4/c1-12-4(3-5(14)15)10-7-6(12)8(16)11-9(17)13(7)2/h3H2,1-2H3,(H,14,15)(H,11,16,17)