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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1-(2-ethoxyethyl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-(2-ethoxyethyl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1-(2-ethoxyethyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1-(2-ethoxyethyl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1-(2-ethoxyethyl)-7-ethyl-3-methyl-xanthine Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CCOCC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CCOCC)CC

InChI

InChI=1S/C19H28N6O3/c1-6-13-12-14(7-2)25(21-13)18-20-16-15(23(18)8-3)17(26)24(10-11-28-9-4)19(27)22(16)5/h12H,6-11H2,1-5H3