Chemical ID: 5282394

CC(=CCn1c2c(nc1N3CCCC3)n(c(=O)n(c2=O)C)C)Cl
Chemical ID:
5282394
Name [?]:
7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione
SMILES [?]:
CC(=CCn1c2c(nc1N3CCCC3)n(c(=O)n(c2=O)C)C)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H20ClN5O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4293
Area:502.492
Solvation:-2.13303
Coulombic:-56.1767
Bond Count [?]
All:25
Single:20
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:337.805
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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