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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-ethyl-1-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-1-(2-methoxyethyl)-3-methyl-xanthine Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3/c1-6-12-11-13(7-2)24(20-12)17-19-15-14(22(17)8-3)16(25)23(9-10-27-5)18(26)21(15)4/h11H,6-10H2,1-5H3