6-azanyl-2-(2-fluoranylethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-fluoranylethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2-fluoroethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(2-fluoroethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2-fluoroethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(2-fluoroethylthio)-7H-purin-8-one Formula: C14H14FN5OS MolecularWeight: 319.357263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FN5OS/c15-6-7-22-13-18-11(16)10-12(19-13)20(14(21)17-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,21)(H2,16,18,19)