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CEPMU ,1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea ,Urea, N-(2-chloroe

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摘 要:CEPMU ,1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea ,Urea, N-(2-chloroethyl)-N'-(pyrazinylmethyl)-, (S)-,91621-13-5, 3-(2-chloroethyl)-1-(pyrazin-2-ylmethyl)urea,Canonical SMILES: C1=CN=C(C=N1)CNC(=O)NCCCl,InChI: InChI=1/C8H11ClN4O/c9-1-2-12-8(14)
[Synonyms]
CEPMU
1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea
Urea, N-(2-chloroethyl)-N'-(pyrazinylmethyl)-, (S)-
91621-13-5

[Structure]
CEPMU ,1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea ,Urea, N-(2-chloroe

[ Properties Computed from Structure]
Molecular Weight214.65214 [g/mol]
Molecular FormulaC8H11ClN4O
XLogP-0.1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count3
Exact Mass214.062139
MonoIsotopic Mass214.062139
Topological Polar Surface Area66.9
Heavy Atom Count14
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(2-chloroethyl)-1-(pyrazin-2-ylmethyl)urea
Canonical SMILES: C1=CN=C(C=N1)CNC(=O)NCCCl
InChI: InChI=1/C8H11ClN4O/c9-1-2-12-8(14)13-6-7-5-10-3-4-11-7/h3-5H,1-2,6H2,
(H2,12,13,14)/f/h12-13H

 
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