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

Systemtic Name: 3,7-dimethyl-2,6-bis(oxidanylidene)-1-pentyl-purin-7-ium-7-carboxylic acid Openeye Name: 3,7-dimethyl-2,6-dioxo-1-pentyl-purin-7-ium-7-carboxylic acid CAS Name: 3,7-dimethyl-2,6-dioxo-1-pentyl-7-purin-7-iumcarboxylic acid IUPAC Name: 3,7-dimethyl-2,6-dioxo-1-pentylpurin-7-ium-7-carboxylic acid Traditional Name: 1-amyl-2,6-diketo-3,7-dimethyl-purin-7-ium-7-carboxylic acid Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C[N+]2(C)C(=O)O)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C[N+]2(C)C(=O)O)N(C1=O)C

InChI

InChI=1S/C13H18N4O4/c1-4-5-6-7-16-11(18)9-10(15(2)12(16)19)14-8-17(9,3)13(20)21/h8H,4-7H2,1-3H3/p+1