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

Systemtic Name: 8-bromanyl-7-[(2S)-2-bromanylbutyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2S)-2-bromobutyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2S)-2-bromobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2S)-2-bromobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2S)-2-bromobutyl]-1,3-dimethyl-xanthine Formula: C11H14Br2N4O2 MolecularWeight: 394.06246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14Br2N4O2/c1-4-6(12)5-17-7-8(14-10(17)13)15(2)11(19)16(3)9(7)18/h6H,4-5H2,1-3H3/t6-/m0/s1