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

Systemtic Name: 1-[[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[[3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[[3-(4-bromophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[[3-(4-bromophenyl)-2-isoxazolin-5-yl]methyl]-3,7-dimethyl-xanthine Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3CC(=NO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3CC(=NO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H16BrN5O3/c1-21-9-19-15-14(21)16(24)23(17(25)22(15)2)8-12-7-13(20-26-12)10-3-5-11(18)6-4-10/h3-6,9,12H,7-8H2,1-2H3