5-hexanoyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 5-hexanoyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 5-hexanoyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-5-(1-oxohexyl)purine-2,6-dione IUPAC Name: 5-hexanoyl-1,3-dimethylpurine-2,6-dione Traditional Name: 5-caproyl-1,3-dimethyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C12C(=NC=N1)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCC(=O)C12C(=NC=N1)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18N4O3/c1-4-5-6-7-9(18)13-10(14-8-15-13)16(2)12(20)17(3)11(13)19/h8H,4-7H2,1-3H3