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1105197-45-2,MFCD16652896
Catalog No.:AA01AQF8
1105197-45-2 | (2-[6-(METHYLTHIO)-4-MORPHOLIN-4-YL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]ETHY+
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Technical Information
Catalog Number:
AA01AQF8
Chemical Name:
(2-[6-(METHYLTHIO)-4-MORPHOLIN-4-YL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]ETHY+
CAS Number:
1105197-45-2
Molecular Formula:
C12H18N6OS
Molecular Weight:
294.3759
MDL Number:
MFCD16652896
IUPAC Name:
2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanamine
InChI:
InChI=1S/C12H18N6OS/c1-20-12-15-10(17-4-6-19-7-5-17)9-8-14-18(3-2-13)11(9)16-12/h8H,2-7,13H2,1H3
InChI Key:
VSQJLUBGBXJIRT-UHFFFAOYSA-N
SMILES:
NCCn1ncc2c1nc(SC)nc2N1CCOCC1
Properties
Computed Properties
 
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.377g/mol
Monoisotopic Mass:
294.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
{2-[6-(methylthio)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}amine 
1105197-45-2 
ZINC26421728 
AKOS005206266 
F2135-0852 
2-[6-(methylsulfanyl)-4-(morpholin-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanamine 
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