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

Systemtic Name: N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-(1-naphthylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(1-naphthalenylmethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(naphthalen-1-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(1-naphthylmethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C23H17F3N4O2S MolecularWeight: 470.46689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N4O2S/c24-23(25,26)16-10-8-14(9-11-16)20(31)28-18-19(27)29-22(30-21(18)32)33-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,28,31)(H3,27,29,30,32)