8-(3,5-diethylpyrazol-1-yl)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1-(4-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F)CC

InChI

InChI=1S/C21H23FN6O2/c1-5-15-11-16(6-2)28(24-15)20-23-18-17(25(20)3)19(29)27(21(30)26(18)4)12-13-7-9-14(22)10-8-13/h7-11H,5-6,12H2,1-4H3