9-[[3-ethanoyl-2-(3-methoxy-4-propoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[[3-ethanoyl-2-(3-methoxy-4-propoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[[3-acetyl-2-(3-methoxy-4-propoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[[3-acetyl-2-(3-methoxy-4-propoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[[3-acetyl-2-(3-methoxy-4-propoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[[3-acetyl-2-(3-methoxy-4-propoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C22H26N6O6 MolecularWeight: 470.47844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2N(N=C(O2)CN3C=NC4=C3N(C(=O)N(C4=O)C)C)C(=O)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2N(N=C(O2)CN3C=NC4=C3N(C(=O)N(C4=O)C)C)C(=O)C)OC

InChI

InChI=1S/C22H26N6O6/c1-6-9-33-15-8-7-14(10-16(15)32-5)21-28(13(2)29)24-17(34-21)11-27-12-23-18-19(27)25(3)22(31)26(4)20(18)30/h7-8,10,12,21H,6,9,11H2,1-5H3