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82499-04-5 | 6-(METHYLSULFONYL)-9H-PURIN-2-YLAMINE
CAS No: 82499-04-5 Catalog No: AG0057OT MDL No:
Product Description
Catalog Number:
AG0057OT
Chemical Name:
6-(METHYLSULFONYL)-9H-PURIN-2-YLAMINE
CAS Number:
82499-04-5
Molecular Formula:
C6H7N5O2S
Molecular Weight:
213.2171
IUPAC Name:
6-methylsulfonyl-7H-purin-2-amine
InChI:
InChI=1S/C6H7N5O2S/c1-14(12,13)5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChI Key:
BMLIZZUILSDYDO-UHFFFAOYSA-N
SMILES:
Nc1nc2[nH]cnc2c(n1)S(=O)(=O)C
NSC Number:
63446
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.215g/mol
Monoisotopic Mass:
213.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Convenient and efficient syntheses of oligodeoxyribonucleotides containing O(6)-(carboxymethyl)guanine and O(6)-(4-oxo-4-(3-pyridyl)butyl)guanine. | Nucleosides, nucleotides & nucleic acids 20120401 |
| Novel post DNA synthesis chemistry for preparing oligonucleotides containing O6-modified purines. | Nucleic acids symposium series (2004) 20050101 |
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