3-[(4-fluorophenyl)methyl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(4-fluorophenyl)methyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(4-fluorophenyl)methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(4-fluorophenyl)methyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(4-fluorophenyl)methyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-(4-fluorobenzyl)-2-thioxo-7H-purin-6-one Formula: C12H9FN4OS MolecularWeight: 276.289463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C(=O)NC2=S)NC=N3)F

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C(=O)NC2=S)NC=N3)F

InChI

InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)