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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C15H11F3N4O2S MolecularWeight: 368.33365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N4O2S/c1-2-7-25-14-21-11(19)10(13(24)22-14)20-12(23)8-3-5-9(6-4-8)15(16,17)18/h1,3-6H,7H2,(H,20,23)(H3,19,21,22,24)