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

Systemtic Name: 7-hexanoyl-1-hexyl-3-methyl-purine-2,6-dione Openeye Name: 7-hexanoyl-1-hexyl-3-methyl-purine-2,6-dione CAS Name: 1-hexyl-3-methyl-7-(1-oxohexyl)purine-2,6-dione IUPAC Name: 7-hexanoyl-1-hexyl-3-methylpurine-2,6-dione Traditional Name: 7-caproyl-1-hexyl-3-methyl-xanthine Formula: C18H28N4O3 MolecularWeight: 348.43992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2C(=O)CCCCC)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2C(=O)CCCCC)N(C1=O)C

InChI

InChI=1S/C18H28N4O3/c1-4-6-8-10-12-21-17(24)15-16(20(3)18(21)25)19-13-22(15)14(23)11-9-7-5-2/h13H,4-12H2,1-3H3