7-(2-hydroxyethyl)-1,3-dimethyl-8-[[(2S)-1-oxidanylbutan-2-yl]amino]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[[(2S)-1-oxidanylbutan-2-yl]amino]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-[[(1S)-1-(hydroxymethyl)propyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2S)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(2S)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[[(1S)-1-methylolpropyl]amino]xanthine Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@@H](CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O4/c1-4-8(7-20)14-12-15-10-9(18(12)5-6-19)11(21)17(3)13(22)16(10)2/h8,19-20H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1