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123994-82-1 | 6H-Purin-6-one, 2-(hexylamino)-1,9-dihydro-
CAS No: 123994-82-1 Catalog No: AG000LCL MDL No:
Product Description
Catalog Number:
AG000LCL
Chemical Name:
6H-Purin-6-one, 2-(hexylamino)-1,9-dihydro-
CAS Number:
123994-82-1
Molecular Formula:
C11H17N5O
Molecular Weight:
235.2856
IUPAC Name:
2-(hexylamino)-1,7-dihydropurin-6-one
InChI:
InChI=1S/C11H17N5O/c1-2-3-4-5-6-12-11-15-9-8(10(17)16-11)13-7-14-9/h7H,2-6H2,1H3,(H3,12,13,14,15,16,17)
InChI Key:
GKSZXMSYBGLUJH-UHFFFAOYSA-N
SMILES:
CCCCCCNc1[nH]c(=O)c2c(n1)[nH]cn2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.291g/mol
Monoisotopic Mass:
235.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of N2-substituted guanines as inhibitors of HSV1 and HSV2 thymidine kinases. | Journal of medicinal chemistry 19900101 |
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