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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoic acid Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetic acid IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)