7-(3-iodanyl-2-oxidanyl-propyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(3-iodanyl-2-oxidanyl-propyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-iodo-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-iodopropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-iodopropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-iodo-propyl)-1,3-dimethyl-xanthine Formula: C10H13IN4O3 MolecularWeight: 364.13969

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CI)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CI)O

InChI

InChI=1S/C10H13IN4O3/c1-13-8-7(9(17)14(2)10(13)18)15(5-12-8)4-6(16)3-11/h5-6,16H,3-4H2,1-2H3