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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(3-methylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(3-methyl-5-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[(3-methylisoxazol-5-yl)methyl]xanthine Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=NOC(=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C12H12BrN5O3/c1-6-4-7(21-15-6)5-18-9-8(14-11(18)13)10(19)17(3)12(20)16(9)2/h4H,5H2,1-3H3