O-[5-(6-aminopurin-9-yl)-2-ethyl-4-fluoranyl-oxolan-3-yl] methylsulfanylmethanethioate

Systemtic Name: O-[5-(6-aminopurin-9-yl)-2-ethyl-4-fluoranyl-oxolan-3-yl] methylsulfanylmethanethioate Openeye Name: O-[5-(6-aminopurin-9-yl)-2-ethyl-4-fluoro-tetrahydrofuran-3-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[5-(6-aminopurin-9-yl)-2-ethyl-4-fluoro-3-oxolanyl] ester IUPAC Name: O-[5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-(5-adenin-9-yl-2-ethyl-4-fluoro-tetrahydrofuran-3-yl) ester Formula: C13H16FN5O2S2 MolecularWeight: 357.426843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)F)OC(=S)SC

Isomeric SMILES

CCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)F)OC(=S)SC

InChI

InChI=1S/C13H16FN5O2S2/c1-3-6-9(21-13(22)23-2)7(14)12(20-6)19-5-18-8-10(15)16-4-17-11(8)19/h4-7,9,12H,3H2,1-2H3,(H2,15,16,17)