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

Systemtic Name: N-(6-azanyl-2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-2-ethylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(ethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-2-ethylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(ethylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C14H13F3N4O2S MolecularWeight: 358.33883

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H13F3N4O2S/c1-2-24-13-20-10(18)9(12(23)21-13)19-11(22)7-3-5-8(6-4-7)14(15,16)17/h3-6H,2H2,1H3,(H,19,22)(H3,18,20,21,23)