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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C19H19FN6O2 MolecularWeight: 382.391563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H19FN6O2/c1-11-9-12(2)26(22-11)18-21-16-15(17(27)24(4)19(28)23(16)3)25(18)10-13-7-5-6-8-14(13)20/h5-9H,10H2,1-4H3