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

Systemtic Name: 1-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-ethyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-7H-xanthine Formula: C17H15FN6O2 MolecularWeight: 354.338403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26)