2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetic acid Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)O

InChI

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