9-[[(1R,2S)-1,3-bis(fluoranyl)-1-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[[(1R,2S)-1,3-bis(fluoranyl)-1-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]-6-chloranyl-purin-2-amine Openeye Name: 6-chloro-9-[[(1S,2R)-2-fluoro-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]methyl]purin-2-amine CAS Name: 6-chloro-9-[[(1R,2S)-1,3-difluoro-1-[(4-methylphenyl)thio]propan-2-yl]oxymethyl]-2-purinamine IUPAC Name: 6-chloro-9-[[(1R,2S)-1,3-difluoro-1-(4-methylphenyl)sulfanylpropan-2-yl]oxymethyl]purin-2-amine Traditional Name: [6-chloro-9-[[(1S,2R)-2-fluoro-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]methyl]purin-2-yl]amine Formula: C16H16ClF2N5OS MolecularWeight: 399.845946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(CF)OCN2C=NC3=C2N=C(N=C3Cl)N)F

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]([C@H](CF)OCN2C=NC3=C2N=C(N=C3Cl)N)F

InChI

InChI=1S/C16H16ClF2N5OS/c1-9-2-4-10(5-3-9)26-14(19)11(6-18)25-8-24-7-21-12-13(17)22-16(20)23-15(12)24/h2-5,7,11,14H,6,8H2,1H3,(H2,20,22,23)/t11-,14+/m0/s1