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

Systemtic Name: 8-bromanyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(3,5-dimethylisoxazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(3,5-dimethylisoxazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C13H14BrN5O3 MolecularWeight: 368.18596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C13H14BrN5O3/c1-6-8(7(2)22-16-6)5-19-10-9(15-12(19)14)11(20)18(4)13(21)17(10)3/h5H2,1-4H3