2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; pyridine-3-carboxylate

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Catalog Number
ACM17176442
Product Name
2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; pyridine-3-carboxylate
CAS
17176-44-2
Category
Heterocyclic Organic Compound
Synonyms
AC1L1F6V, 17176-44-2, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; pyridine-3-carboxylate, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium pyridine-3-carboxylate
IUPAC Name
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;pyridine-3-carboxylate
Molecular Weight
467.436 g/mol
Molecular Formula
C18H22N5O6PS
Canonical SMILES
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.C1=CC(=CN=C1)C(=O)[O-]
InChI Key
RRGROXFLJUPTMK-UHFFFAOYSA-N
Exact Mass
467.10300
H-Bond Acceptor
11
H-Bond Donor
3
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