6-[(4-fluorophenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[(4-fluorophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(4-fluorophenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(4-fluorophenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(4-fluorophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(4-fluorobenzyl)thio]-3,7-dihydropurin-2-one Formula: C12H9FN4OS MolecularWeight: 276.289463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)NC3=C2NC=N3)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)NC3=C2NC=N3)F

InChI

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