1,3-dimethyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-1,3-dimethyl-xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C13H20N4O4/c1-8(2)21-6-9(18)5-17-7-14-11-10(17)12(19)16(4)13(20)15(11)3/h7-9,18H,5-6H2,1-4H3/t9-/m0/s1