2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxysulfonyl ethanoate chloride

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxysulfonyl ethanoate chloride Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxysulfonyl acetate chloride CAS Name: acetic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxysulfonyl ester chloride IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxysulfonyl acetate chloride Traditional Name: acetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxysulfonyl ester chloride Formula: C14H19ClN4O5S2 MolecularWeight: 422.90746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N4O5S2.ClH/c1-9-13(4-5-22-25(20,21)23-11(3)19)24-8-18(9)7-12-6-16-10(2)17-14(12)15;/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17);1H/q+1;/p-1