2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine; 4-methylbenzenesulfonate

Systemtic Name: 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine; 4-methylbenzenesulfonate Openeye Name: 2,3-dihydrothiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine; 4-methylbenzenesulfonate CAS Name: 2,3-dihydrothiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine; 4-methylbenzenesulfonate IUPAC Name: 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine; 4-methylbenzenesulfonate Traditional Name: (5-amino-2,3-dihydrothiazolo[3,2-a]pyrimidin-4-ium-7-yl)amine tosylate Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CSC2=NC(=CC(=[N+]21)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CSC2=NC(=CC(=[N+]21)N)N

InChI

InChI=1S/C7H8O3S.C6H8N4S/c1-6-2-4-7(5-3-6)11(8,9)10;7-4-3-5(8)10-1-2-11-6(10)9-4/h2-5H,1H3,(H,8,9,10);3H,1-2H2,(H3,7,8)