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

Systemtic Name: 1-hexanoyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-hexanoyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(1-oxohexyl)purine-2,6-dione IUPAC Name: 1-hexanoyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-caproyl-3,7-dimethyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCC(=O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

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