7-ethyl-1-hexanoyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-ethyl-1-hexanoyl-3-methyl-purine-2,6-dione Openeye Name: 7-ethyl-1-hexanoyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-1-(1-oxohexyl)purine-2,6-dione IUPAC Name: 7-ethyl-1-hexanoyl-3-methylpurine-2,6-dione Traditional Name: 1-caproyl-7-ethyl-3-methyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=O)C2=C(N=CN2CC)N(C1=O)C

Isomeric SMILES

CCCCCC(=O)N1C(=O)C2=C(N=CN2CC)N(C1=O)C

InChI

InChI=1S/C14H20N4O3/c1-4-6-7-8-10(19)18-13(20)11-12(16(3)14(18)21)15-9-17(11)5-2/h9H,4-8H2,1-3H3