3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine; 4-methylbenzenesulfonate CAS Name: 3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine; 4-methylbenzenesulfonate Traditional Name: (3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)amine tosylate Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=N[N+]2=C(C=C(N=C12)C)C)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=N[N+]2=C(C=C(N=C12)C)C)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H14N5.C7H8O3S/c1-4-13-8(10)12-14-7(3)5-6(2)11-9(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3,(H2,10,12);2-5H,1H3,(H,8,9,10)/q+1;/p-1