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10184-51-7 | 9H-Purin-6-amine, 9-methyl-, 1-oxide
CAS No: 10184-51-7 Catalog No: AG0005P5 MDL No:
Product Description
Catalog Number:
AG0005P5
Chemical Name:
9H-Purin-6-amine, 9-methyl-, 1-oxide
CAS Number:
10184-51-7
Molecular Formula:
C6H7N5O
Molecular Weight:
165.1527
IUPAC Name:
1-hydroxy-9-methylpurin-6-imine
InChI:
InChI=1S/C6H7N5O/c1-10-2-8-4-5(7)11(12)3-9-6(4)10/h2-3,7,12H,1H3
InChI Key:
NZIJGVZBHGNNNN-UHFFFAOYSA-N
SMILES:
[O-][n+]1cnc2c(c1N)ncn2C
NSC Number:
527422
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral evaluation of analogs of adenosine-N1-oxide and 1-(Benzyloxy)adenosine. | Nucleosides & nucleotides 19980801 |
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