N-[(4-fluorophenyl)methyl]-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[(6-keto-3,7-dihydropurin-2-yl)thio]acetamide Formula: C14H12FN5O2S MolecularWeight: 333.340783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC(=O)C3=C(N2)N=CN3)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC(=O)C3=C(N2)N=CN3)F

InChI

InChI=1S/C14H12FN5O2S/c15-9-3-1-8(2-4-9)5-16-10(21)6-23-14-19-12-11(13(22)20-14)17-7-18-12/h1-4,7H,5-6H2,(H,16,21)(H2,17,18,19,20,22)