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[3-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid

[3-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid

Systemtic Name:[3-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid
Openeye Name:[3-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid
CAS Name:[3-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid
IUPAC Name:[3-[6-(6-aminopurin-9-yl)hexoxy]phenyl]methylphosphonic acid
Traditional Name:[3-(6-adenin-9-ylhexoxy)benzyl]phosphonic acid
Formula: C18H24N5O4P
MolecularWeight: 405.388021
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCCN2C=NC3=C2N=CN=C3N)CP(=O)(O)O


Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCCN2C=NC3=C2N=CN=C3N)CP(=O)(O)O


InChI

InChI=1S/C18H24N5O4P/c19-17-16-18(21-12-20-17)23(13-22-16)8-3-1-2-4-9-27-15-7-5-6-14(10-15)11-28(24,25)26/h5-7,10,12-13H,1-4,8-9,11H2,(H2,19,20,21)(H2,24,25,26)


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