7-hexanoyl-3-methyl-1-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-hexanoyl-3-methyl-1-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-hexanoyl-1-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1-(2-methylpropyl)-7-(1-oxohexyl)purine-2,6-dione IUPAC Name: 7-hexanoyl-3-methyl-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-caproyl-1-isobutyl-3-methyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-5-6-7-8-12(21)20-10-17-14-13(20)15(22)19(9-11(2)3)16(23)18(14)4/h10-11H,5-9H2,1-4H3