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

Systemtic Name: 9-[[(2S,3R)-3-fluoranyl-1-(4-methylphenyl)sulfanyl-butan-2-yl]oxymethyl]purin-6-amine Openeye Name: 9-[[(1S,2R)-2-fluoro-1-(p-tolylsulfanylmethyl)propoxy]methyl]purin-6-amine CAS Name: 9-[[(2S,3R)-3-fluoro-1-[(4-methylphenyl)thio]butan-2-yl]oxymethyl]-6-purinamine IUPAC Name: 9-[[(2S,3R)-3-fluoro-1-(4-methylphenyl)sulfanylbutan-2-yl]oxymethyl]purin-6-amine Traditional Name: [9-[[(1S,2R)-2-fluoro-1-[(p-tolylthio)methyl]propoxy]methyl]purin-6-yl]amine Formula: C17H20FN5OS MolecularWeight: 361.437003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN5OS/c1-11-3-5-13(6-4-11)25-7-14(12(2)18)24-10-23-9-22-15-16(19)20-8-21-17(15)23/h3-6,8-9,12,14H,7,10H2,1-2H3,(H2,19,20,21)/t12-,14-/m1/s1