3-butyl-1-(3-oxidanylidenebutyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(3-oxidanylidenebutyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-(3-oxobutyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-(3-oxobutyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-(3-oxobutyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(3-ketobutyl)-7-propyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCC(=O)C)N(C=N2)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCC(=O)C)N(C=N2)CCC

InChI

InChI=1S/C16H24N4O3/c1-4-6-9-19-14-13(18(8-5-2)11-17-14)15(22)20(16(19)23)10-7-12(3)21/h11H,4-10H2,1-3H3