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124482-91-3 | Pyrimido[1,2-a]purin-10(3H)-one, 4,6,7,8-tetrahydro-
CAS No: 124482-91-3 Catalog No: AG000M2M MDL No:
Product Description
Catalog Number:
AG000M2M
Chemical Name:
Pyrimido[1,2-a]purin-10(3H)-one, 4,6,7,8-tetrahydro-
CAS Number:
124482-91-3
Molecular Formula:
C8H9N5O
Molecular Weight:
191.1900
IUPAC Name:
5,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
InChI:
InChI=1S/C8H9N5O/c14-7-5-6(11-4-10-5)12-8-9-2-1-3-13(7)8/h4H,1-3H2,(H,9,12)(H,10,11)
InChI Key:
FZJPYAFFYUYIEP-UHFFFAOYSA-N
SMILES:
O=c1c2nc[nH]c2[nH]c2=NCCCn12
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.194g/mol
Monoisotopic Mass:
191.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Oxidation and glycolytic cleavage of etheno and propano DNA base adducts. | Biochemistry 20090203 |
| LC-MS study on the formation of cyclic 1,N2-propano guanine adduct in the reactions of DNA with acetaldehyde in the presence of histone. | Biological & pharmaceutical bulletin 20040301 |
| Histones accelerate the cyclic 1,N2-propanoguanine adduct-formation of DNA by the primary metabolite of alcohol and carcinogenic crotonaldehyde. | Bioorganic & medicinal chemistry letters 20031020 |
| Analysis of DNA adducts of acetaldehyde by liquid chromatography-mass spectrometry. | Journal of chromatography. A 20030214 |
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