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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1-ethyl-7-(2-fluorobenzyl)-3-methyl-xanthine Formula: C22H25FN6O2 MolecularWeight: 424.471303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC)CC

InChI

InChI=1S/C22H25FN6O2/c1-5-15-12-16(6-2)29(25-15)21-24-19-18(20(30)27(7-3)22(31)26(19)4)28(21)13-14-10-8-9-11-17(14)23/h8-12H,5-7,13H2,1-4H3