1,3-dimethyl-9-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 9-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 9-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 9-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C16H18N4O4/c1-18-14-13(15(22)19(2)16(18)23)17-10-20(14)8-11(21)9-24-12-6-4-3-5-7-12/h3-7,10-11,21H,8-9H2,1-2H3