7-[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-bromophenyl)-2-isoxazolin-5-yl]-1,3-dimethyl-xanthine Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3CC(=NO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3CC(=NO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H14BrN5O3/c1-20-14-13(15(23)21(2)16(20)24)22(8-18-14)12-7-11(19-25-12)9-3-5-10(17)6-4-9/h3-6,8,12H,7H2,1-2H3