3-methyl-7-(2-methyl-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methyl-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-methyl-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-2-methylpropyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-methylpropyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-2-methyl-propyl)-3-methyl-xanthine Formula: C10H14N4O3 MolecularWeight: 238.24316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=NC2=C1C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(C)(CN1C=NC2=C1C(=O)NC(=O)N2C)O

InChI

InChI=1S/C10H14N4O3/c1-10(2,17)4-14-5-11-7-6(14)8(15)12-9(16)13(7)3/h5,17H,4H2,1-3H3,(H,12,15,16)