7-butanoyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butanoyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butanoyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-oxobutyl)purine-2,6-dione IUPAC Name: 7-butanoyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyryl-1,3-dimethyl-xanthine Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H14N4O3/c1-4-5-7(16)15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3