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

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(2-methylimidazol-1-yl)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methyl-1-imidazolyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC1=NC=CN1C[C@H](CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C14H18N6O3/c1-9-15-4-5-19(9)6-10(21)7-20-8-16-12-11(20)13(22)18(3)14(23)17(12)2/h4-5,8,10,21H,6-7H2,1-3H3/t10-/m1/s1