1,3-dimethyl-7-[2-[2,2,2-tris(chloranyl)-1-oxidanyl-ethoxy]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[2,2,2-tris(chloranyl)-1-oxidanyl-ethoxy]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2,2,2-trichloro-1-hydroxy-ethoxy)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2,2,2-trichloro-1-hydroxyethoxy)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2,2,2-trichloro-1-hydroxyethoxy)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(2,2,2-trichloro-1-hydroxy-ethoxy)ethyl]xanthine Formula: C11H13Cl3N4O4 MolecularWeight: 371.60432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(C(Cl)(Cl)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C11H13Cl3N4O4/c1-16-7-6(8(19)17(2)10(16)21)18(5-15-7)3-4-22-9(20)11(12,13)14/h5,9,20H,3-4H2,1-2H3