7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C18H22ClN5O5 MolecularWeight: 423.85078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC(COC3=CC=CC=C3Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC(COC3=CC=CC=C3Cl)O

InChI

InChI=1S/C18H22ClN5O5/c1-22-15-14(16(27)23(2)18(22)28)24(17(21-15)20-7-8-25)9-11(26)10-29-13-6-4-3-5-12(13)19/h3-6,11,25-26H,7-10H2,1-2H3,(H,20,21)