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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-4-oxo-2-(2-pyridinylmethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyridylmethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C18H14F3N5O2S MolecularWeight: 421.39627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O2S/c19-18(20,21)11-6-4-10(5-7-11)15(27)24-13-14(22)25-17(26-16(13)28)29-9-12-3-1-2-8-23-12/h1-8H,9H2,(H,24,27)(H3,22,25,26,28)