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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)-deuterio-methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl ethanoate chloride Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)-deuterio-methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl acetate chloride CAS Name: acetic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)-deuteriomethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester chloride IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)-deuteriomethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate chloride Traditional Name: acetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)-deuterio-methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester chloride Formula: C14H19ClN4O2S MolecularWeight: 343.850422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C(C1=CN=C(N=C1N)C)[N+]2=CSC(=C2C)CCOC(=O)C.[Cl-]

InChI

InChI=1S/C14H19N4O2S.ClH/c1-9-13(4-5-20-11(3)19)21-8-18(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/i7D;