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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-bromo-1,3-dimethyl-xanthine Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN4O4/c1-4-5-22-7-8(19)6-18-9-10(15-12(18)14)16(2)13(21)17(3)11(9)20/h4,8,19H,1,5-7H2,2-3H3/t8-/m1/s1