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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-1-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-6-20-12-13(17-15(20)22-11(3)9-10(2)18-22)19(4)16(24)21(14(12)23)7-8-25-5/h9H,6-8H2,1-5H3