8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H16N6O2/c1-5-18-9-10(17(4)13(21)15-11(9)20)14-12(18)19-8(3)6-7(2)16-19/h6H,5H2,1-4H3,(H,15,20,21)