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Home Nitriles 2-Amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-Amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

CAS No.:
69205-79-4
Catalog Number:
AG003GFV
Molecular Formula:
C7H5N5O
Molecular Weight:
175.1475
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$234
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Product Description
Catalog Number:
AG003GFV
Chemical Name:
2-Amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CAS Number:
69205-79-4
Molecular Formula:
C7H5N5O
Molecular Weight:
175.1475
MDL Number:
MFCD13178502
IUPAC Name:
2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChI Key:
FMKSMYDYKXQYRV-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1c(=O)[nH]c(n2)N
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
175.151g/mol
Monoisotopic Mass:
175.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Structural basis of biological nitrile reduction. The Journal of biological chemistry 20120831
Diversity of archaeosine synthesis in crenarchaeota. ACS chemical biology 20120217
High-resolution structure of the nitrile reductase QueF combined with molecular simulations provide insight into enzyme mechanism. Journal of molecular biology 20101119
Discovery and characterization of an amidinotransferase involved in the modification of archaeal tRNA. The Journal of biological chemistry 20100423
Mechanistic studies of Bacillus subtilis QueF, the nitrile oxidoreductase involved in queuosine biosynthesis. Biochemistry 20071106
Phylogenomic analysis of proteins that are distinctive of Archaea and its main subgroups and the origin of methanogenesis. BMC genomics 20070101
Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery. Genome biology 20070101
Crystallization and preliminary X-ray characterization of the nitrile reductase QueF: a queuosine-biosynthesis enzyme. Acta crystallographica. Section F, Structural biology and crystallization communications 20051001
Properties