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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-bromanylethanoate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2-bromoacetate CAS Name: 2-bromoacetic 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 2-bromoacetate Traditional Name: 2-bromoacetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C14H18BrN4O2S+ MolecularWeight: 386.28732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN4O2S/c1-9-12(3-4-21-13(20)5-15)22-8-19(9)7-11-6-17-10(2)18-14(11)16/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18)/q+1