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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C12H14N6O2 MolecularWeight: 274.27856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O2/c1-6-5-7(2)18(15-6)11-13-9-8(16(11)3)10(19)14-12(20)17(9)4/h5H,1-4H3,(H,14,19,20)