8-bromanyl-1,3-dimethyl-7-[(2R)-2-oxidanylbutyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[(2R)-2-oxidanylbutyl]purine-2,6-dione Openeye Name: 8-bromo-7-[(2R)-2-hydroxybutyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-2-hydroxybutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-2-hydroxybutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2R)-2-hydroxybutyl]-1,3-dimethyl-xanthine Formula: C11H15BrN4O3 MolecularWeight: 331.1658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C11H15BrN4O3/c1-4-6(17)5-16-7-8(13-10(16)12)14(2)11(19)15(3)9(7)18/h6,17H,4-5H2,1-3H3/t6-/m1/s1