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

Systemtic Name: 9-[[2-(4-dimethylaminophenyl)-3-ethanoyl-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[[3-acetyl-2-(4-dimethylaminophenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[[3-acetyl-2-(4-dimethylaminophenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[[3-acetyl-2-(4-dimethylaminophenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[[3-acetyl-2-(4-dimethylaminophenyl)-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC(=N1)CN2C=NC3=C2N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(=O)N1C(OC(=N1)CN2C=NC3=C2N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C20H23N7O4/c1-12(28)27-19(13-6-8-14(9-7-13)23(2)3)31-15(22-27)10-26-11-21-16-17(26)24(4)20(30)25(5)18(16)29/h6-9,11,19H,10H2,1-5H3