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[4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid

[4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid

Systemtic Name:[4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
Openeye Name:[4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
CAS Name:[4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
IUPAC Name:[4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid
Traditional Name:[4-(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=C1CP(=O)(O)O)OCCCCCN2C=NC3=C2N=CN=C3N


Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)OCCCCCN2C=NC3=C2N=CN=C3N


InChI

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


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