4-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(2-chloro-6-fluorophenyl)methylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-chloro-6-fluoro-benzyl)thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C13H10ClFN4S2 MolecularWeight: 340.826703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H10ClFN4S2/c1-20-12-7(5-16)11(17)18-13(19-12)21-6-8-9(14)3-2-4-10(8)15/h2-4H,6H2,1H3,(H2,17,18,19)