Chemical ID: 4562822

CNc1nc2c(n1CCCc3ccccc3)c(=O)n(c(=O)n2C)C
Chemical ID:
4562822
Name [?]:
1,3-dimethyl-8-methylamino-7-(3-phenylpropyl)purine-2,6-dione
SMILES [?]:
CNc1nc2c(n1CCCc3ccccc3)c(=O)n(c(=O)n2C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.1174
Area:538.691
Solvation:-2.34984
Coulombic:-62.0567
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.381
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.87
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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