6-azanyl-9-(phenylmethyl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2,2,2-trifluoroethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(2,2,2-trifluoroethylthio)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2,2,2-trifluoroethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(2,2,2-trifluoroethylthio)-7H-purin-8-one Formula: C14H12F3N5OS MolecularWeight: 355.33819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC(F)(F)F)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC(F)(F)F)N)NC2=O

InChI

InChI=1S/C14H12F3N5OS/c15-14(16,17)7-24-12-20-10(18)9-11(21-12)22(13(23)19-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,19,23)(H2,18,20,21)