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

Systemtic Name: 1-cyclopentyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-cyclopentyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione CAS Name: 1-cyclopentyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-cyclopentyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-cyclopentyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-7H-xanthine Formula: C20H19FN6O2 MolecularWeight: 394.402263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C20H19FN6O2/c21-14-5-3-4-12(8-14)10-26-11-13(9-22-26)17-23-16-18(24-17)25-20(29)27(19(16)28)15-6-1-2-7-15/h3-5,8-9,11,15H,1-2,6-7,10H2,(H,23,24)(H,25,29)