8-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-methyl-purine-2,6-dione

Systemtic Name: 8-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-methyl-purine-2,6-dione Openeye Name: 8-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-methyl-purine-2,6-dione CAS Name: 8-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-methylpurine-2,6-dione IUPAC Name: 8-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-methylpurine-2,6-dione Traditional Name: 1-methyl-8-(5-veratryl-1,2,4-oxadiazol-3-yl)xanthine Formula: C17H14N6O5 MolecularWeight: 382.33026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=NC1=O)C3=NOC(=N3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=NC1=O)C3=NOC(=N3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C17H14N6O5/c1-23-16(24)12-13(21-17(23)25)20-14(19-12)15-18-11(28-22-15)7-8-4-5-9(26-2)10(6-8)27-3/h4-6H,7H2,1-3H3