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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

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