3-ethenyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name: 3-ethenyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-vinyl-7H-purine-2,6-dione CAS Name: 3-ethenyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 3-ethenyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 8-[1-(3-fluorobenzyl)pyrazol-4-yl]-3-vinyl-7H-purine-2,6-quinone Formula: C17H13FN6O2 MolecularWeight: 352.322523

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C=CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C17H13FN6O2/c1-2-24-15-13(16(25)22-17(24)26)20-14(21-15)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h2-7,9H,1,8H2,(H,20,21)(H,22,25,26)