Chemical ID: 4821303

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Sc3[nH]c4ccccc4n3)CC=C
Chemical ID:
4821303
Name [?]:
7-allyl-8-(1H-benzoimidazol-2-ylsulfanyl)-3-methyl-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Sc3[nH]c4ccccc4n3)CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14N6O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4176
Area:525.515
Solvation:-2.72033
Coulombic:-71.7533
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:354.388
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.49
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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