2-[2-methyl-3-[[8-(trifluoromethyl)purin-9-yl]methyl]phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[2-methyl-3-[[8-(trifluoromethyl)purin-9-yl]methyl]phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-[[8-(trifluoromethyl)purin-9-yl]methyl]phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-[[8-(trifluoromethyl)-9-purinyl]methyl]phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-[[8-(trifluoromethyl)purin-9-yl]methyl]phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-[[8-(trifluoromethyl)purin-9-yl]methyl]phenyl]thio]ethyl ester Formula: C23H20F3N5O2S MolecularWeight: 487.49741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C4=NC=NC=C4N=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C4=NC=NC=C4N=C3C(F)(F)F

InChI

InChI=1S/C23H20F3N5O2S/c1-15-16(13-31-20-18(12-27-14-28-20)30-21(31)23(24,25)26)6-5-9-19(15)34-11-10-33-22(32)29-17-7-3-2-4-8-17/h2-9,12,14H,10-11,13H2,1H3,(H,29,32)