4-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]methyl]-3-fluoro-benzonitrile Formula: C14H15FN6S MolecularWeight: 318.372503

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C14H15FN6S/c1-21(2)14-19-12(18-13(17)20-14)8-22-7-10-4-3-9(6-16)5-11(10)15/h3-5H,7-8H2,1-2H3,(H2,17,18,19,20)