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

Systemtic Name: 9-[[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]purin-6-amine Openeye Name: 9-[[(1S)-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]methyl]purin-6-amine CAS Name: 9-[[(2S)-1-fluoro-3-[(4-methylphenyl)thio]propan-2-yl]oxymethyl]-6-purinamine IUPAC Name: 9-[[(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-yl]oxymethyl]purin-6-amine Traditional Name: [9-[[(1S)-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]methyl]purin-6-yl]amine Formula: C16H18FN5OS MolecularWeight: 347.410423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CF)OCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](CF)OCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H18FN5OS/c1-11-2-4-13(5-3-11)24-7-12(6-17)23-10-22-9-21-14-15(18)19-8-20-16(14)22/h2-5,8-9,12H,6-7,10H2,1H3,(H2,18,19,20)/t12-/m0/s1