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123994-83-2 | 6H-Purin-6-one, 1,9-dihydro-2-[(5-hydroxypentyl)amino]-
CAS No: 123994-83-2 Catalog No: AG000LCK MDL No:
Product Description
Catalog Number:
AG000LCK
Chemical Name:
6H-Purin-6-one, 1,9-dihydro-2-[(5-hydroxypentyl)amino]-
CAS Number:
123994-83-2
Molecular Formula:
C10H15N5O2
Molecular Weight:
237.2584
IUPAC Name:
2-(5-hydroxypentylamino)-1,7-dihydropurin-6-one
InChI:
InChI=1S/C10H15N5O2/c16-5-3-1-2-4-11-10-14-8-7(9(17)15-10)12-6-13-8/h6,16H,1-5H2,(H3,11,12,13,14,15,17)
InChI Key:
BAOIEYLBLQZUQM-UHFFFAOYSA-N
SMILES:
OCCCCCNc1[nH]c(=O)c2c(n1)[nH]cn2
UNII:
2LN1F3Z653
NSC Number:
681689
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
237.263g/mol
Monoisotopic Mass:
237.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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