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

Systemtic Name: 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[(6-keto-3,7-dihydropurin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C16H14F3N5O2S MolecularWeight: 397.37487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N5O2S/c1-2-10(27-15-23-12-11(14(26)24-15)20-7-21-12)13(25)22-9-6-4-3-5-8(9)16(17,18)19/h3-7,10H,2H2,1H3,(H,22,25)(H2,20,21,23,24,26)