8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxyethyl)-1,3-dimethyl-xanthine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCO)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCO)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C14H18N6O3/c1-8-7-9(2)20(16-8)13-15-11-10(19(13)5-6-21)12(22)18(4)14(23)17(11)3/h7,21H,5-6H2,1-4H3