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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCOCC)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCOCC)C

InChI

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