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

Systemtic Name: 6-chloranyl-9-[1-[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxyethyl]purin-2-amine Openeye Name: 6-chloro-9-[1-[(1S)-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]ethyl]purin-2-amine CAS Name: 6-chloro-9-[1-[(2S)-1-fluoro-3-[(4-methylphenyl)thio]propan-2-yl]oxyethyl]-2-purinamine IUPAC Name: 6-chloro-9-[1-[(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-yl]oxyethyl]purin-2-amine Traditional Name: [6-chloro-9-[1-[(1S)-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]ethyl]purin-2-yl]amine Formula: C17H19ClFN5OS MolecularWeight: 395.882063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CF)OC(C)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](CF)OC(C)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C17H19ClFN5OS/c1-10-3-5-13(6-4-10)26-8-12(7-19)25-11(2)24-9-21-14-15(18)22-17(20)23-16(14)24/h3-6,9,11-12H,7-8H2,1-2H3,(H2,20,22,23)/t11?,12-/m0/s1