3-(4-fluorophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(4-fluorophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-(4-fluorophenyl)-7H-purine-2,6-dione CAS Name: 3-(4-fluorophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-(4-fluorophenyl)-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-(4-fluorophenyl)-7H-purine-2,6-quinone Formula: C18H13FN4O2 MolecularWeight: 336.319823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H13FN4O2/c19-13-6-8-14(9-7-13)23-16-15(20-11-21-16)17(24)22(18(23)25)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)