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7019-71-8

7019-71-8 | Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,bromide (1:1)

CAS No: 7019-71-8 Catalog No: AG005KPT MDL No:

Product Description

Catalog Number:
AG005KPT
Chemical Name:
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,bromide (1:1)
CAS Number:
7019-71-8
Molecular Formula:
C12H17BrN4OS
Molecular Weight:
345.2586
IUPAC Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;bromide
InChI:
InChI=1S/C12H17N4OS.BrH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
InChI Key:
URCYCZPVXXIFSR-UHFFFAOYSA-M
SMILES:
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C.[Br-]
UNII:
JIJ7B8T57F

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.031g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
345.259g/mol
Monoisotopic Mass:
344.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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