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

Systemtic Name: 6-chloranyl-9-[[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]purine Openeye Name: 6-chloro-9-[[(1S)-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]methyl]purine CAS Name: 6-chloro-9-[[(2S)-1-fluoro-3-[(4-methylphenyl)thio]propan-2-yl]oxymethyl]purine IUPAC Name: 6-chloro-9-[[(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-yl]oxymethyl]purine Traditional Name: 6-chloro-9-[[(1S)-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]methyl]purine Formula: C16H16ClFN4OS MolecularWeight: 366.840843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN4OS/c1-11-2-4-13(5-3-11)24-7-12(6-18)23-10-22-9-21-14-15(17)19-8-20-16(14)22/h2-5,8-9,12H,6-7,10H2,1H3/t12-/m0/s1