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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-xanthine Formula: C17H24N6O3 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CCOCC)C(=O)NC(=O)N3C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CCOCC)C(=O)NC(=O)N3C)CC

InChI

InChI=1S/C17H24N6O3/c1-5-11-10-12(6-2)23(20-11)16-18-14-13(22(16)8-9-26-7-3)15(24)19-17(25)21(14)4/h10H,5-9H2,1-4H3,(H,19,24,25)