8-bromanyl-9-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[[2-(2,4-dimethylphenyl)-4-oxazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)C

InChI

InChI=1S/C19H18BrN5O3/c1-10-5-6-13(11(2)7-10)15-21-12(9-28-15)8-25-16-14(22-18(25)20)17(26)24(4)19(27)23(16)3/h5-7,9H,8H2,1-4H3