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

Systemtic Name: 2-[3-[[4-azanyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate Openeye Name: 2-[3-[[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate CAS Name: 2-[3-[[4-amino-2-(trifluoromethyl)-5-pyrimidinyl]methyl]-4-methyl-5-thiazol-3-iumyl]ethyl dihydrogen phosphate IUPAC Name: 2-[3-[[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate Traditional Name: 2-[3-[[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate Formula: C12H15F3N4O4PS+ MolecularWeight: 399.305871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C(F)(F)F)CCOP(=O)(O)O

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C(F)(F)F)CCOP(=O)(O)O

InChI

InChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p+1