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

Systemtic Name: 8-(dimethylamino)-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-20(2)17-19-15-14(16(25)22(4)18(26)21(15)3)23(17)10-12(24)11-27-13-8-6-5-7-9-13/h5-9,12,24H,10-11H2,1-4H3/t12-/m0/s1