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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-7-isobutyl-3-methyl-xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C)CC

InChI

InChI=1S/C17H24N6O2/c1-6-11-8-12(7-2)23(20-11)16-18-14-13(22(16)9-10(3)4)15(24)19-17(25)21(14)5/h8,10H,6-7,9H2,1-5H3,(H,19,24,25)