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

Systemtic Name: 1-(2,2-dimethylhexanoyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(2,2-dimethylhexanoyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2,2-dimethyl-1-oxohexyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2,2-dimethylhexanoyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(2,2-dimethylhexanoyl)-7H-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c1-4-5-6-13(2,3)11(19)17-10(18)8-9(15-7-14-8)16-12(17)20/h7H,4-6H2,1-3H3,(H,14,15)(H,16,20)