2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-methylbenzenesulfonate

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-methylbenzenesulfonate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OCCC2=C([N+](=CS2)CC3=CN=C(N=C3N)C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OCCC2=C([N+](=CS2)CC3=CN=C(N=C3N)C)C

InChI

InChI=1S/C19H23N4O3S2/c1-13-5-4-6-17(9-13)28(24,25)26-8-7-18-14(2)23(12-27-18)11-16-10-21-15(3)22-19(16)20/h4-6,9-10,12H,7-8,11H2,1-3H3,(H2,20,21,22)/q+1