1,8-dimethyl-3-(2-methylbutyl)-2,6-bis(oxidanylidene)purine-7-carboxylic acid

Systemtic Name: 1,8-dimethyl-3-(2-methylbutyl)-2,6-bis(oxidanylidene)purine-7-carboxylic acid Openeye Name: 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxo-purine-7-carboxylic acid CAS Name: 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxo-7-purinecarboxylic acid IUPAC Name: 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxopurine-7-carboxylic acid Traditional Name: 2,6-diketo-1,8-dimethyl-3-(2-methylbutyl)purine-7-carboxylic acid Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C)C(=O)O

Isomeric SMILES

CCC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C)C(=O)O

InChI

InChI=1S/C13H18N4O4/c1-5-7(2)6-16-10-9(11(18)15(4)12(16)19)17(13(20)21)8(3)14-10/h7H,5-6H2,1-4H3,(H,20,21)