6-azanyl-9-[(4-fluorophenyl)methyl]-2-methylsulfanyl-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[(4-fluorophenyl)methyl]-2-methylsulfanyl-7H-purin-8-one Openeye Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-methylsulfanyl-7H-purin-8-one CAS Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(methylthio)-7H-purin-8-one IUPAC Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-methylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-(4-fluorobenzyl)-2-(methylthio)-7H-purin-8-one Formula: C13H12FN5OS MolecularWeight: 305.330683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

InChI

InChI=1S/C13H12FN5OS/c1-21-12-17-10(15)9-11(18-12)19(13(20)16-9)6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,16,20)(H2,15,17,18)