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19962-37-9 | Acetamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-
CAS No: 19962-37-9 Catalog No: AG002C97 MDL No:MFCD00078201
Product Description
Catalog Number:
AG002C97
Chemical Name:
Acetamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-
CAS Number:
19962-37-9
Molecular Formula:
C7H7N5O2
Molecular Weight:
193.1628
MDL Number:
MFCD00078201
IUPAC Name:
N-(6-oxo-1,7-dihydropurin-2-yl)acetamide
InChI:
InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
InChI Key:
MXSMRDDXWJSGMC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1[nH]c(=O)c2c(n1)[nH]cn2
EC Number:
243-443-7
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.166g/mol
Monoisotopic Mass:
193.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| An enzymatic transglycosylation of purine bases. | Nucleosides, nucleotides & nucleic acids 20070101 |
| Efficient synthesis of 2'-C-beta-methylguanosine. | The Journal of organic chemistry 20060512 |
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