1-(2-chloranyl-7-methyl-purin-6-yl)oxy-3-(diethylamino)propan-2-ol; sulfuric acid; dihydrate

Systemtic Name: 1-(2-chloranyl-7-methyl-purin-6-yl)oxy-3-(diethylamino)propan-2-ol; sulfuric acid; dihydrate Openeye Name: 1-(2-chloro-7-methyl-purin-6-yl)oxy-3-(diethylamino)propan-2-ol; sulfuric acid; dihydrate CAS Name: 1-[(2-chloro-7-methyl-6-purinyl)oxy]-3-(diethylamino)-2-propanol; sulfuric acid; dihydrate IUPAC Name: 1-(2-chloro-7-methylpurin-6-yl)oxy-3-(diethylamino)propan-2-ol; sulfuric acid; dihydrate Traditional Name: 1-(2-chloro-7-methyl-purin-6-yl)oxy-3-(diethylamino)propan-2-ol; sulfuric acid; dihydrate Formula: C13H26ClN5O8S MolecularWeight: 447.89224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=NC(=NC2=C1N(C=N2)C)Cl)O.O.O.OS(=O)(=O)O

Isomeric SMILES

CCN(CC)CC(COC1=NC(=NC2=C1N(C=N2)C)Cl)O.O.O.OS(=O)(=O)O

InChI

InChI=1S/C13H20ClN5O2.H2O4S.2H2O/c1-4-19(5-2)6-9(20)7-21-12-10-11(15-8-18(10)3)16-13(14)17-12;1-5(2,3)4;;/h8-9,20H,4-7H2,1-3H3;(H2,1,2,3,4);2*1H2