8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-pyridin-3-yl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-pyridin-3-yl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(3-pyridyl)-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-1-(3-pyridinyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-pyridin-3-yl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[1-(3-fluorobenzyl)pyrazol-4-yl]-1-(3-pyridyl)-7H-xanthine Formula: C20H14FN7O2 MolecularWeight: 403.369263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)N(C(=O)N4)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CC(=C1)F)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)N(C(=O)N4)C5=CN=CC=C5

InChI

InChI=1S/C20H14FN7O2/c21-14-4-1-3-12(7-14)10-27-11-13(8-23-27)17-24-16-18(25-17)26-20(30)28(19(16)29)15-5-2-6-22-9-15/h1-9,11H,10H2,(H,24,25)(H,26,30)