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

Systemtic Name: 6-chloranyl-9-[[3-fluoranyl-1-(4-methylphenyl)sulfanyl-butan-2-yl]oxymethyl]purin-2-amine Openeye Name: 6-chloro-9-[[2-fluoro-1-(p-tolylsulfanylmethyl)propoxy]methyl]purin-2-amine CAS Name: 6-chloro-9-[[3-fluoro-1-[(4-methylphenyl)thio]butan-2-yl]oxymethyl]-2-purinamine IUPAC Name: 6-chloro-9-[[3-fluoro-1-(4-methylphenyl)sulfanylbutan-2-yl]oxymethyl]purin-2-amine Traditional Name: [6-chloro-9-[[2-fluoro-1-[(p-tolylthio)methyl]propoxy]methyl]purin-2-yl]amine Formula: C17H19ClFN5OS MolecularWeight: 395.882063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFN5OS/c1-10-3-5-12(6-4-10)26-7-13(11(2)19)25-9-24-8-21-14-15(18)22-17(20)23-16(14)24/h3-6,8,11,13H,7,9H2,1-2H3,(H2,20,22,23)