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

Systemtic Name: 8-bromanyl-7-[(2R)-3-chloranyl-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2R)-3-chloro-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-3-chloro-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-3-chloro-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2R)-3-chloro-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C10H12BrClN4O3 MolecularWeight: 351.58428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C[C@H](CCl)O

InChI

InChI=1S/C10H12BrClN4O3/c1-14-7-6(8(18)15(2)10(14)19)16(9(11)13-7)4-5(17)3-12/h5,17H,3-4H2,1-2H3/t5-/m0/s1