8-(3,5-diethylpyrazol-1-yl)-1-(2-methoxyethyl)-3,7-dimethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCOC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCOC)CC

InChI

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