3-[2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]benzimidazol-1-yl]propionitrile Formula: C16H18N8S MolecularWeight: 354.43272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C16H18N8S/c1-23(2)15-21-13(20-14(18)22-15)10-25-16-19-11-6-3-4-7-12(11)24(16)9-5-8-17/h3-4,6-7H,5,9-10H2,1-2H3,(H2,18,20,21,22)