7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(2-diethylaminoethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(2-diethylaminoethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-diethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-diethylaminoethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-diethylaminoethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-diethylaminoethylamino)-3-methyl-xanthine Formula: C21H29ClN6O4 MolecularWeight: 464.94576

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29ClN6O4/c1-4-27(5-2)11-10-23-20-24-18-17(19(30)25-21(31)26(18)3)28(20)12-15(29)13-32-16-8-6-14(22)7-9-16/h6-9,15,29H,4-5,10-13H2,1-3H3,(H,23,24)(H,25,30,31)