5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-amine chloride

Systemtic Name: 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-amine chloride Openeye Name: 5-[[5-(2-chloroethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-amine chloride CAS Name: 5-[[5-(2-chloroethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-4-pyrimidinamine chloride IUPAC Name: 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine chloride Traditional Name: [5-[[5-(2-chloroethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]amine chloride Formula: C12H16Cl2N4S MolecularWeight: 319.25324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCCl.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCCl.[Cl-]

InChI

InChI=1S/C12H16ClN4S.ClH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);1H/q+1;/p-1