6-chloranyl-9-[[(2S,3R)-3-fluoranyl-1-(4-methylphenyl)sulfanyl-butan-2-yl]oxymethyl]purine

Systemtic Name: 6-chloranyl-9-[[(2S,3R)-3-fluoranyl-1-(4-methylphenyl)sulfanyl-butan-2-yl]oxymethyl]purine Openeye Name: 6-chloro-9-[[(1S,2R)-2-fluoro-1-(p-tolylsulfanylmethyl)propoxy]methyl]purine CAS Name: 6-chloro-9-[[(2S,3R)-3-fluoro-1-[(4-methylphenyl)thio]butan-2-yl]oxymethyl]purine IUPAC Name: 6-chloro-9-[[(2S,3R)-3-fluoro-1-(4-methylphenyl)sulfanylbutan-2-yl]oxymethyl]purine Traditional Name: 6-chloro-9-[[(1S,2R)-2-fluoro-1-[(p-tolylthio)methyl]propoxy]methyl]purine Formula: C17H18ClFN4OS MolecularWeight: 380.867423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(C)F)OCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H]([C@@H](C)F)OCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C17H18ClFN4OS/c1-11-3-5-13(6-4-11)25-7-14(12(2)19)24-10-23-9-22-15-16(18)20-8-21-17(15)23/h3-6,8-9,12,14H,7,10H2,1-2H3/t12-,14-/m1/s1