3-methyl-8-(methylamino)-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(methylamino)-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(methylamino)xanthine Formula: C13H21N5O4 MolecularWeight: 311.33694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NC)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1NC)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C13H21N5O4/c1-7(2)22-6-8(19)5-18-9-10(15-12(18)14-3)17(4)13(21)16-11(9)20/h7-8,19H,5-6H2,1-4H3,(H,14,15)(H,16,20,21)