N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(butan-2-ylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(sec-butylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C16H17F3N4O2S MolecularWeight: 386.39199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O2S/c1-3-8(2)26-15-22-12(20)11(14(25)23-15)21-13(24)9-4-6-10(7-5-9)16(17,18)19/h4-8H,3H2,1-2H3,(H,21,24)(H3,20,22,23,25)