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22917-85-7 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-propyl-
CAS No: 22917-85-7 Catalog No: AG002LI4 MDL No:
Product Description
Catalog Number:
AG002LI4
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-propyl-
CAS Number:
22917-85-7
Molecular Formula:
C8H11N5O
Molecular Weight:
193.2058
IUPAC Name:
2-amino-9-propyl-1H-purin-6-one
InChI:
InChI=1S/C8H11N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
InChI Key:
OSFDSLRVYKUBOP-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1nc(N)[nH]c2=O
NSC Number:
38311
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.21g/mol
Monoisotopic Mass:
193.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Alkylpurines as immunopotentiating agents. Synthesis and antiviral activity of certain alkylguanines. | Journal of medicinal chemistry 19931029 |
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