8-bromanyl-1,3-dimethyl-9-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C17H15BrN6O3 MolecularWeight: 431.2434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C17H15BrN6O3/c1-9-4-6-10(7-5-9)13-19-11(21-27-13)8-24-14-12(20-16(24)18)15(25)23(3)17(26)22(14)2/h4-7H,8H2,1-3H3