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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=O)N(C(=O)C2=N1)C3=NOC(=N3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC2=NC(=O)N(C(=O)C2=N1)C3=NOC(=N3)CC4=CC(=C(C=C4)OC)OC

InChI

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