9-[(2-fluorophenyl)methyl]-2,6-bis(methylsulfanyl)purine

Systemtic Name: 9-[(2-fluorophenyl)methyl]-2,6-bis(methylsulfanyl)purine Openeye Name: 9-[(2-fluorophenyl)methyl]-2,6-bis(methylsulfanyl)purine CAS Name: 9-[(2-fluorophenyl)methyl]-2,6-bis(methylthio)purine IUPAC Name: 9-[(2-fluorophenyl)methyl]-2,6-bis(methylsulfanyl)purine Traditional Name: 9-(2-fluorobenzyl)-2,6-bis(methylthio)purine Formula: C14H13FN4S2 MolecularWeight: 320.408223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3F)SC

Isomeric SMILES

CSC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3F)SC

InChI

InChI=1S/C14H13FN4S2/c1-20-13-11-12(17-14(18-13)21-2)19(8-16-11)7-9-5-3-4-6-10(9)15/h3-6,8H,7H2,1-2H3