2-methylbutan-2-yl-[(pyridin-1-ium-3-ylamino)-(pyrimidin-2-ylamino)methylidene]azanium dichloride

Systemtic Name: 2-methylbutan-2-yl-[(pyridin-1-ium-3-ylamino)-(pyrimidin-2-ylamino)methylidene]azanium dichloride Openeye Name: 1,1-dimethylpropyl-[(pyridin-1-ium-3-ylamino)-(pyrimidin-2-ylamino)methylene]ammonium dichloride CAS Name: 2-methylbutan-2-yl-[(3-pyridin-1-iumylamino)-(2-pyrimidinylamino)methylidene]ammonium dichloride IUPAC Name: 2-methylbutan-2-yl-[(pyridin-1-ium-3-ylamino)-(pyrimidin-2-ylamino)methylidene]azanium dichloride Traditional Name: tert-amyl-[(pyridin-1-ium-3-ylamino)-(2-pyrimidylamino)methylene]ammonium dichloride Formula: C15H22Cl2N6 MolecularWeight: 357.28138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH+]=C(NC1=C[NH+]=CC=C1)NC2=NC=CC=N2.[Cl-].[Cl-]

Isomeric SMILES

CCC(C)(C)[NH+]=C(NC1=C[NH+]=CC=C1)NC2=NC=CC=N2.[Cl-].[Cl-]

InChI

InChI=1S/C15H20N6.2ClH/c1-4-15(2,3)21-14(19-12-7-5-8-16-11-12)20-13-17-9-6-10-18-13;;/h5-11H,4H2,1-3H3,(H2,17,18,19,20,21);2*1H