2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(6-keto-3,7-dihydropurin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]propionamide Formula: C15H12F3N5O2S MolecularWeight: 383.34829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C15H12F3N5O2S/c1-7(26-14-22-11-10(13(25)23-14)19-6-20-11)12(24)21-9-5-3-2-4-8(9)15(16,17)18/h2-7H,1H3,(H,21,24)(H2,19,20,22,23,25)