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

Systemtic Name: 7-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-methyl-purine-2,6-dione CAS Name: 7-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-methyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)C

InChI

InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(13(3)5-11-8)9(15)12-10(14)16/h5-6H,4H2,1-3H3,(H,12,15,16)