[5-(6-chloranylpurin-9-yl)-4-fluoranyl-3-methylsulfanylcarbothioyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-chloranylpurin-9-yl)-4-fluoranyl-3-methylsulfanylcarbothioyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-chloropurin-9-yl)-4-fluoro-3-methylsulfanylcarbothioyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-chloro-9-purinyl)-4-fluoro-3-[(methylthio)-sulfanylidenemethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-chloropurin-9-yl)-4-fluoro-3-methylsulfanylcarbothioyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-chloropurin-9-yl)-4-fluoro-3-(methylthio)carbothioyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C19H16ClFN4O4S2 MolecularWeight: 482.936143

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)OC1C(OC(C1F)N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CSC(=S)OC1C(OC(C1F)N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H16ClFN4O4S2/c1-31-19(30)29-14-11(7-27-18(26)10-5-3-2-4-6-10)28-17(12(14)21)25-9-24-13-15(20)22-8-23-16(13)25/h2-6,8-9,11-12,14,17H,7H2,1H3