3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-yl-amino]propanenitrile

Systemtic Name: 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-yl-amino]propanenitrile Openeye Name: 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-sec-butyl-amino]propanenitrile CAS Name: 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile IUPAC Name: 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile Traditional Name: 3-[[4,6-bis(trichloromethyl)-s-triazin-2-yl]-sec-butyl-amino]propionitrile Formula: C12H13Cl6N5 MolecularWeight: 439.98312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC#N)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

CCC(C)N(CCC#N)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H13Cl6N5/c1-3-7(2)23(6-4-5-19)10-21-8(11(13,14)15)20-9(22-10)12(16,17)18/h7H,3-4,6H2,1-2H3