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

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-xanthine Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H32N6O4/c1-5-27(6-2)12-11-23-21-24-19-18(20(30)25-22(31)26(19)4)28(21)13-16(29)14-32-17-10-8-7-9-15(17)3/h7-10,16,29H,5-6,11-14H2,1-4H3,(H,23,24)(H,25,30,31)