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

Systemtic Name: 8-(2-diethylaminoethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C22H32N6O5 MolecularWeight: 460.52668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O5/c1-5-27(6-2)12-11-23-21-24-19-18(20(30)25-22(31)26(19)3)28(21)13-15(29)14-33-17-9-7-16(32-4)8-10-17/h7-10,15,29H,5-6,11-14H2,1-4H3,(H,23,24)(H,25,30,31)