8-(2-hydroxyethylamino)-3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-xanthine Formula: C14H23N5O5 MolecularWeight: 341.36292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C14H23N5O5/c1-8(2)24-7-9(21)6-19-10-11(16-13(19)15-4-5-20)18(3)14(23)17-12(10)22/h8-9,20-21H,4-7H2,1-3H3,(H,15,16)(H,17,22,23)/t9-/m0/s1