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

Systemtic Name: 9-[[3-ethanoyl-2-(4-ethoxy-3-methoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[[3-acetyl-2-(4-ethoxy-3-methoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[[3-acetyl-2-(4-ethoxy-3-methoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[[3-acetyl-2-(4-ethoxy-3-methoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[[3-acetyl-2-(4-ethoxy-3-methoxy-phenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C21H24N6O6 MolecularWeight: 456.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C21H24N6O6/c1-6-32-14-8-7-13(9-15(14)31-5)20-27(12(2)28)23-16(33-20)10-26-11-22-17-18(26)24(3)21(30)25(4)19(17)29/h7-9,11,20H,6,10H2,1-5H3