1-butyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-7-ium-7-carboxylic acid

Systemtic Name: 1-butyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-7-ium-7-carboxylic acid Openeye Name: 1-butyl-3,7-dimethyl-2,6-dioxo-purin-7-ium-7-carboxylic acid CAS Name: 1-butyl-3,7-dimethyl-2,6-dioxo-7-purin-7-iumcarboxylic acid IUPAC Name: 1-butyl-3,7-dimethyl-2,6-dioxopurin-7-ium-7-carboxylic acid Traditional Name: 1-butyl-2,6-diketo-3,7-dimethyl-purin-7-ium-7-carboxylic acid Formula: C12H17N4O4+ MolecularWeight: 281.28778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C[N+]2(C)C(=O)O)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C[N+]2(C)C(=O)O)N(C1=O)C

InChI

InChI=1S/C12H16N4O4/c1-4-5-6-15-10(17)8-9(14(2)11(15)18)13-7-16(8,3)12(19)20/h7H,4-6H2,1-3H3/p+1