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

Systemtic Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-piperidin-4-yl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-piperidyl)-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-1-(4-piperidinyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-piperidin-4-yl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[1-(3-fluorobenzyl)pyrazol-4-yl]-1-(4-piperidyl)-7H-xanthine Formula: C20H20FN7O2 MolecularWeight: 409.416903

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CNCCC1N2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C20H20FN7O2/c21-14-3-1-2-12(8-14)10-27-11-13(9-23-27)17-24-16-18(25-17)26-20(30)28(19(16)29)15-4-6-22-7-5-15/h1-3,8-9,11,15,22H,4-7,10H2,(H,24,25)(H,26,30)