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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)NC(=O)N3C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)NC(=O)N3C)CC

InChI

InChI=1S/C14H18N6O2/c1-5-8-7-9(6-2)20(17-8)13-15-11-10(18(13)3)12(21)16-14(22)19(11)4/h7H,5-6H2,1-4H3,(H,16,21,22)