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

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-[[(2R)-2-oxidanylpropyl]amino]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-[[(2R)-2-hydroxypropyl]amino]-1,3-dimethyl-xanthine Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

C[C@H](CNC1=NC2=C(N1C[C@H](COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C19H25N5O5/c1-12(25)9-20-18-21-16-15(17(27)23(3)19(28)22(16)2)24(18)10-13(26)11-29-14-7-5-4-6-8-14/h4-8,12-13,25-26H,9-11H2,1-3H3,(H,20,21)/t12-,13-/m1/s1