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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-fluorobenzyl)-3-methyl-xanthine Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6O2/c1-4-13-10-14(5-2)27(24-13)19-22-17-16(18(28)23-20(29)25(17)3)26(19)11-12-8-6-7-9-15(12)21/h6-10H,4-5,11H2,1-3H3,(H,23,28,29)