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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C19H15F3N4O2S MolecularWeight: 420.40821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N4O2S/c20-19(21,22)13-8-6-12(7-9-13)16(27)24-14-15(23)25-18(26-17(14)28)29-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,24,27)(H3,23,25,26,28)