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8-methoxy-9-[4-(oxolan-3-ylamino)butyl]-2-pentan-2-yloxypurin-6-amine (HCID 178447004)|Huagongshe
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Compound
8-methoxy-9-[4-(oxolan-3-ylamino)butyl]-2-pentan-2-yloxypurin-6-amine
HCID
178447004
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Basic information
Standard SMILES
CCCC(C)Oc1nc(N)c2nc(OC)n(CCCCNC3CCOC3)c2n1
InChIKey
DOWIWVYGYAFVIX-UHFFFAOYSA-N
Molecular formula
C19H32N6O3
Average molar mass
392.5 g/mol
Monoisotopic mass
392.2535889
Names & identifiers
IUPAC
8-methoxy-9-[4-(oxolan-3-ylamino)butyl]-2-pentan-2-yloxypurin-6-amine
Database identifiers
PubChem CID
76743117
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
28
Formal charge
0
Complexity
459
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HRID
120803
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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