(2S)-2-(7H-purin-6-ylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: (2S)-2-(7H-purin-6-ylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: (2S)-2-(7H-purin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: (2S)-2-(7H-purin-6-ylthio)-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: (2S)-2-(7H-purin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: (2S)-2-(7H-purin-6-ylthio)-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C15H12F3N5O2S MolecularWeight: 383.34829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H12F3N5O2S/c1-8(26-14-11-12(20-6-19-11)21-7-22-14)13(24)23-9-2-4-10(5-3-9)25-15(16,17)18/h2-8H,1H3,(H,23,24)(H,19,20,21,22)/t8-/m0/s1