1-(2,2-dimethylbutanoyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(2,2-dimethylbutanoyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(2,2-dimethylbutanoyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2,2-dimethyl-1-oxobutyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2,2-dimethylbutanoyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(2,2-dimethylbutanoyl)-7H-xanthine Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1C(=O)C2=C(NC1=O)N=CN2

Isomeric SMILES

CCC(C)(C)C(=O)N1C(=O)C2=C(NC1=O)N=CN2

InChI

InChI=1S/C11H14N4O3/c1-4-11(2,3)9(17)15-8(16)6-7(13-5-12-6)14-10(15)18/h5H,4H2,1-3H3,(H,12,13)(H,14,18)