N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C21H17F3N4O2S MolecularWeight: 446.44549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S/c22-21(23,24)15-10-8-14(9-11-15)18(29)26-16-17(25)27-20(28-19(16)30)31-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2,(H,26,29)(H3,25,27,28,30)/b7-4+