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

Systemtic Name: 7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-8-(diethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-8-(diethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(diethylamino)-1,3-dimethyl-xanthine Formula: C20H26ClN5O4 MolecularWeight: 435.90454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(COC3=CC=CC=C3Cl)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(COC3=CC=CC=C3Cl)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26ClN5O4/c1-5-25(6-2)19-22-17-16(18(28)24(4)20(29)23(17)3)26(19)11-13(27)12-30-15-10-8-7-9-14(15)21/h7-10,13,27H,5-6,11-12H2,1-4H3