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[3-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid

[3-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid

Systemtic Name:[3-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
Openeye Name:[3-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
CAS Name:[3-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
IUPAC Name:[3-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
Traditional Name:[3-(5-adenin-9-ylpentoxy)benzyl]phosphonic acid
Formula: C17H22N5O4P
MolecularWeight: 391.361441
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCN2C=NC3=C2N=CN=C3N)CP(=O)(O)O


Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCN2C=NC3=C2N=CN=C3N)CP(=O)(O)O


InChI

InChI=1S/C17H22N5O4P/c18-16-15-17(20-11-19-16)22(12-21-15)7-2-1-3-8-26-14-6-4-5-13(9-14)10-27(23,24)25/h4-6,9,11-12H,1-3,7-8,10H2,(H2,18,19,20)(H2,23,24,25)


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