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

Systemtic Name: 7-[(2S)-3-(2-hydroxyethylamino)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propyl]-1,3-dimethyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCCO)O

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O4/c1-15-10-9(11(20)16(2)12(15)21)17(7-14-10)6-8(19)5-13-3-4-18/h7-8,13,18-19H,3-6H2,1-2H3/t8-/m0/s1