7-butyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-butyl-3-isobutyl-purine-2,6-dione CAS Name: 7-butyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-butyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-butyl-3-isobutyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)NC(=O)N2CC(C)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)NC(=O)N2CC(C)C

InChI

InChI=1S/C13H20N4O2/c1-4-5-6-16-8-14-11-10(16)12(18)15-13(19)17(11)7-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,18,19)