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

Systemtic Name: 7-hexanoyl-3-methyl-1-propyl-purine-2,6-dione Openeye Name: 7-hexanoyl-3-methyl-1-propyl-purine-2,6-dione CAS Name: 3-methyl-7-(1-oxohexyl)-1-propylpurine-2,6-dione IUPAC Name: 7-hexanoyl-3-methyl-1-propylpurine-2,6-dione Traditional Name: 7-caproyl-3-methyl-1-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCC

Isomeric SMILES

CCCCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCC

InChI

InChI=1S/C15H22N4O3/c1-4-6-7-8-11(20)19-10-16-13-12(19)14(21)18(9-5-2)15(22)17(13)3/h10H,4-9H2,1-3H3