7-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(3-p-phenetyl-1,2,4-oxadiazol-5-yl)methyl]xanthine Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H18N6O4/c1-4-27-12-7-5-11(6-8-12)15-20-13(28-21-15)9-24-10-19-16-14(24)17(25)23(3)18(26)22(16)2/h5-8,10H,4,9H2,1-3H3