8-(dimethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H25N5O5 MolecularWeight: 403.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C19H25N5O5/c1-21(2)18-20-16-15(17(26)23(4)19(27)22(16)3)24(18)10-12(25)11-29-14-8-6-13(28-5)7-9-14/h6-9,12,25H,10-11H2,1-5H3