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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-propionylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H22N4O5 MolecularWeight: 386.40178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C19H22N4O5/c1-4-15(25)12-5-7-14(8-6-12)28-10-13(24)9-23-11-20-17-16(23)18(26)22(3)19(27)21(17)2/h5-8,11,13,24H,4,9-10H2,1-3H3