7-[(2S)-3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-xanthine Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](CN(C)CCO)O

InChI

InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3/t9-/m0/s1