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

Systemtic Name: 6-chloranyl-9-[[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]purin-2-amine Openeye Name: 6-chloro-9-[[(1S)-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]methyl]purin-2-amine CAS Name: 6-chloro-9-[[(2S)-1-fluoro-3-[(4-methylphenyl)thio]propan-2-yl]oxymethyl]-2-purinamine IUPAC Name: 6-chloro-9-[[(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-yl]oxymethyl]purin-2-amine Traditional Name: [6-chloro-9-[[(1S)-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]methyl]purin-2-yl]amine Formula: C16H17ClFN5OS MolecularWeight: 381.855483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN5OS/c1-10-2-4-12(5-3-10)25-7-11(6-18)24-9-23-8-20-13-14(17)21-16(19)22-15(13)23/h2-5,8,11H,6-7,9H2,1H3,(H2,19,21,22)/t11-/m0/s1