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90924-88-2

90924-88-2 | 1-methyl-3-{2-[6-(methylsulfanyl)-9h-purin-9-yl]ethyl}urea

CAS No: 90924-88-2 Catalog No: AG006GFC MDL No:

Product Description

Catalog Number:
AG006GFC
Chemical Name:
1-methyl-3-{2-[6-(methylsulfanyl)-9h-purin-9-yl]ethyl}urea
CAS Number:
90924-88-2
Molecular Formula:
C10H14N6OS
Molecular Weight:
266.3228
IUPAC Name:
1-methyl-3-[2-(6-methylsulfanylpurin-9-yl)ethyl]urea
InChI:
InChI=1S/C10H14N6OS/c1-11-10(17)12-3-4-16-6-15-7-8(16)13-5-14-9(7)18-2/h5-6H,3-4H2,1-2H3,(H2,11,12,17)
InChI Key:
HCSUAAPKMNZOIH-UHFFFAOYSA-N
SMILES:
CNC(=O)NCCn1cnc2c1ncnc2SC
NSC Number:
77160

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.323g/mol
Monoisotopic Mass:
266.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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