8-[[(2R)-3-(diethylamino)-2-oxidanyl-propoxy]methyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[[(2R)-3-(diethylamino)-2-oxidanyl-propoxy]methyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[(2R)-3-(diethylamino)-2-hydroxy-propoxy]methyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-3-(diethylamino)-2-hydroxypropoxy]methyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[(2R)-3-(diethylamino)-2-hydroxypropoxy]methyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[(2R)-3-(diethylamino)-2-hydroxy-propoxy]methyl]-1,3,7-trimethyl-xanthine Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CCN(CC)C[C@H](COCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C16H27N5O4/c1-6-21(7-2)8-11(22)9-25-10-12-17-14-13(18(12)3)15(23)20(5)16(24)19(14)4/h11,22H,6-10H2,1-5H3/t11-/m1/s1