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2846-68-6 | Ethanol, 2,2'-[[2-[6-(benzylthio)-9H-purin-9-yl]ethyl]imino]di- (7CI,8CI)
CAS No: 2846-68-6 Catalog No: AG002VCY MDL No:
Product Description
Catalog Number:
AG002VCY
Chemical Name:
Ethanol, 2,2'-[[2-[6-(benzylthio)-9H-purin-9-yl]ethyl]imino]di- (7CI,8CI)
CAS Number:
2846-68-6
Molecular Formula:
C18H23N5O2S
Molecular Weight:
373.4725
IUPAC Name:
2-[2-(6-benzylsulfanylpurin-9-yl)ethyl-(2-hydroxyethyl)amino]ethanol
InChI:
InChI=1S/C18H23N5O2S/c24-10-8-22(9-11-25)6-7-23-14-21-16-17(23)19-13-20-18(16)26-12-15-4-2-1-3-5-15/h1-5,13-14,24-25H,6-12H2
InChI Key:
UHBZOKSMTMLVEK-UHFFFAOYSA-N
SMILES:
OCCN(CCn1cnc2c1ncnc2SCc1ccccc1)CCO
NSC Number:
80817
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.475g/mol
Monoisotopic Mass:
373.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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