8-bromanyl-1,3-dimethyl-7-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-bromo-7-(2-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-hydroxypropyl)-1,3-dimethyl-xanthine Formula: C10H13BrN4O3 MolecularWeight: 317.13922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

CC(CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C10H13BrN4O3/c1-5(16)4-15-6-7(12-9(15)11)13(2)10(18)14(3)8(6)17/h5,16H,4H2,1-3H3