2-azanyl-4-methylsulfanyl-6-[2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-[2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(methylthio)-6-[[2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-6-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[[2-keto-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C17H14F3N5OS2 MolecularWeight: 425.45117

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)SC2CCN(C2=O)C3=CC=CC(=C3)C(F)(F)F)N

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)SC2CCN(C2=O)C3=CC=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C17H14F3N5OS2/c1-27-13-11(8-21)14(24-16(22)23-13)28-12-5-6-25(15(12)26)10-4-2-3-9(7-10)17(18,19)20/h2-4,7,12H,5-6H2,1H3,(H2,22,23,24)