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

Systemtic Name: 8-(2-dimethylaminoethylamino)-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C20H28N6O4/c1-23(2)11-10-21-19-22-17-16(18(28)25(4)20(29)24(17)3)26(19)12-14(27)13-30-15-8-6-5-7-9-15/h5-9,14,27H,10-13H2,1-4H3,(H,21,22)/t14-/m0/s1