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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

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