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

Systemtic Name: 1,3-dimethyl-7-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H16N6O3/c1-10-4-6-11(7-5-10)15-19-12(20-26-15)8-23-9-18-14-13(23)16(24)22(3)17(25)21(14)2/h4-7,9H,8H2,1-3H3