7-(3-chloranyl-2-oxidanyl-propyl)-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-8-(diethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-8-(diethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-8-(diethylamino)-1,3-dimethyl-xanthine Formula: C14H22ClN5O3 MolecularWeight: 343.80918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(CCl)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(CCl)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H22ClN5O3/c1-5-19(6-2)13-16-11-10(20(13)8-9(21)7-15)12(22)18(4)14(23)17(11)3/h9,21H,5-8H2,1-4H3