200,000+ products from a single source!
sales@angenechem.com
114300-69-5 | 6H-Purin-6-one, 2-(butylamino)-1,9-dihydro-
CAS No: 114300-69-5 Catalog No: AG000B1Q MDL No:
Product Description
Catalog Number:
AG000B1Q
Chemical Name:
6H-Purin-6-one, 2-(butylamino)-1,9-dihydro-
CAS Number:
114300-69-5
Molecular Formula:
C9H13N5O
Molecular Weight:
207.2324
IUPAC Name:
2-(butylamino)-1,7-dihydropurin-6-one
InChI:
InChI=1S/C9H13N5O/c1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h5H,2-4H2,1H3,(H3,10,11,12,13,14,15)
InChI Key:
OZPCMYKOSKILNC-UHFFFAOYSA-N
SMILES:
CCCCNc1[nH]c(=O)c2c(n1)[nH]cn2
UNII:
04Z09IBM8Z
NSC Number:
682516
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.237g/mol
Monoisotopic Mass:
207.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of N2-substituted guanines as inhibitors of HSV1 and HSV2 thymidine kinases. | Journal of medicinal chemistry 19900101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.