Home Fluorides 1204298-15-6
1204298-15-6,MFCD16631864
Catalog No.:AA01AQHX
1204298-15-6 | 1-(4-FLUOROBENZYL)-6-MERCAPTO-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-O+
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Technical Information
Catalog Number:
AA01AQHX
Chemical Name:
1-(4-FLUOROBENZYL)-6-MERCAPTO-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-O+
CAS Number:
1204298-15-6
Molecular Formula:
C12H9FN4OS
Molecular Weight:
276.2895
MDL Number:
MFCD16631864
IUPAC Name:
1-[(4-fluorophenyl)methyl]-6-sulfanylidene-7H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)6-17-10-9(5-14-17)11(18)16-12(19)15-10/h1-5H,6H2,(H2,15,16,18,19)
InChI Key:
ISWYFHAREFOXMZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cn1ncc2c1nc(S)[nH]c2=O
Properties
Computed Properties
 
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.048g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.289g/mol
Monoisotopic Mass:
276.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1-(4-fluorobenzyl)-6-mercapto-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 
1204298-15-6 
ZINC36657713 
AKOS015957448 
MCULE-7094482942 
L-4738 
F2161-0056 
1-[(4-fluorophenyl)methyl]-6-sulfanyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 
Literature
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