8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C23H34N6O4 MolecularWeight: 458.55386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C[C@H](COC3=CC=CC(=C3)C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H34N6O4/c1-6-28(7-2)12-11-24-22-25-20-19(21(31)27(5)23(32)26(20)4)29(22)14-17(30)15-33-18-10-8-9-16(3)13-18/h8-10,13,17,30H,6-7,11-12,14-15H2,1-5H3,(H,24,25)/t17-/m1/s1