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122949-68-2

122949-68-2 | 1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile, 4-amino-1-[(2-hydroxyethoxy)methyl]-

CAS No: 122949-68-2 Catalog No: AG000JU4 MDL No:

Product Description

Catalog Number:
AG000JU4
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile, 4-amino-1-[(2-hydroxyethoxy)methyl]-
CAS Number:
122949-68-2
Molecular Formula:
C9H10N6O2
Molecular Weight:
234.2147
IUPAC Name:
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C9H10N6O2/c10-3-6-7-8(11)12-4-13-9(7)15(14-6)5-17-2-1-16/h4,16H,1-2,5H2,(H2,11,12,13)
InChI Key:
SIKQODOYOJZCFR-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(nn2COCCO)C#N

Properties

Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.219g/mol
Monoisotopic Mass:
234.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Literature

Title Journal
Synthesis and antiviral activity of some 7-[(2-hydroxyethoxy)methyl]pyrazolo[3,4-d]pyrimidine analogues of sangivamycin and toyocamycin. Journal of medicinal chemistry 19900701

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