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

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-21-15-14(16(26)22(2)18(21)27)23(17(20-15)19-8-9-24)10-12(25)11-28-13-6-4-3-5-7-13/h3-7,12,24-25H,8-11H2,1-2H3,(H,19,20)/t12-/m1/s1