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122949-67-1 | 1H-Pyrazolo[3,4-d]pyrimidine-3-carboxamide, 4-amino-1-[(2-hydroxyethoxy)methyl]-
CAS No: 122949-67-1 Catalog No: AG000JU5 MDL No:
Product Description
Catalog Number:
AG000JU5
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine-3-carboxamide, 4-amino-1-[(2-hydroxyethoxy)methyl]-
CAS Number:
122949-67-1
Molecular Formula:
C9H12N6O3
Molecular Weight:
252.2300
IUPAC Name:
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
InChI:
InChI=1S/C9H12N6O3/c10-7-5-6(8(11)17)14-15(4-18-2-1-16)9(5)13-3-12-7/h3,16H,1-2,4H2,(H2,11,17)(H2,10,12,13)
InChI Key:
NMZGBZABPKSEDU-UHFFFAOYSA-N
SMILES:
OCCOCn1nc(c2c1ncnc2N)C(=O)N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.234g/mol
Monoisotopic Mass:
252.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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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