Compound C18H22N5O6PS

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

Molecular Formula	`C18H22N5O6PS`
Molecular Weight	467.4 g/mol
Topological Polar Surface Area	204.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	467.10284
Heavy Atoms	31
Complexity	521.0

Chemical Identifiers

CAS Number	17176-44-2
SMILES	`CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.C1=CC(=CN=C1)C(=O)[O-]`
InChIKey	`RRGROXFLJUPTMK-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H22N5O6PS (CAS: 17176-44-2) is a chemical compound with molecular formula C18H22N5O6PS and molecular weight 467.4 g/mol. Its IUPAC systematic name is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;pyridine-3-carboxylate. Topological Polar Surface Area 204.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 6 Exact Mass 467.10284 Heavy Atoms 31 Complexity 521.0 InChI Key: RRGROXFLJUPTMK-UHFFFAOYSA-N. SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.C1=CC(=CN=C1)C(=O)[O-].

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