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

Systemtic Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-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=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O4/c1-5-27(6-2)13-12-23-21-24-19-18(20(30)26(4)22(31)25(19)3)28(21)14-16(29)15-32-17-10-8-7-9-11-17/h7-11,16,29H,5-6,12-15H2,1-4H3,(H,23,24)/t16-/m1/s1