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122949-65-9 | 1H-Pyrazolo[3,4-d]pyrimidine-3-carboximidic acid, 4-amino-1-[(2-hydroxyethoxy)methyl]-, methyl ester
CAS No: 122949-65-9 Catalog No: AG000JT0 MDL No:
Product Description
Catalog Number:
AG000JT0
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine-3-carboximidic acid, 4-amino-1-[(2-hydroxyethoxy)methyl]-, methyl ester
CAS Number:
122949-65-9
Molecular Formula:
C10H14N6O3
Molecular Weight:
266.2566
IUPAC Name:
N-[4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidin-3-yl]acetamide
InChI:
InChI=1S/C10H14N6O3/c1-6(18)14-9-7-8(11)12-4-13-10(7)16(15-9)5-19-3-2-17/h4,17H,2-3,5H2,1H3,(H2,11,12,13)(H,14,15,18)
InChI Key:
VMYLCVNQVDJGIE-UHFFFAOYSA-N
SMILES:
COC(=N)c1nn(c2c1c(N)ncn2)COCCO
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.261g/mol
Monoisotopic Mass:
266.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
128A^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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