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N2-Acetylguanine

CAT: 0931-TPL0270Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0270Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19962-37-9
Target
Endogenous Metabolite, DNA/RNA Synthesis
Related Pathways
Metabolism, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.999
Bioactivity
Compound 19962-37-9, with CAS No. 19962-37-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 19962-37-9 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC(=O)NC1=NC(=O)C2=C(N1)N=CN2
Molecular Formula
C7H7N5O2
Molecular Weight
193.166
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(6,7-dihydro-6-oxo-1H-purin-2-yl)acetamide
CAS Number19962-37-9
PubChem CID135432176
IUPAC NameN-(6-oxo-1,7-dihydropurin-2-yl)acetamide
Molecular FormulaC7H7N5O2
Molecular Weight193.16
XLogP-0.9
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity313
SMILES
CC(=O)NC1=NC2=C(C(=O)N1)NC=N2
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)
InChIKey
MXSMRDDXWJSGMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6,7-dihydro-6-oxo-1H-purin-2-yl)acetamide
CAS: 19962-37-9
CID: 135432176
Formula: C7H7N5O2
MW: 193.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.16
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass193.05997448
Monoisotopic Mass193.05997448
Topological Polar Surface Area99.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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