[2-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid

Systemtic Name: [2-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid Openeye Name: [2-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid CAS Name: [2-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid IUPAC Name: [2-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid Traditional Name: [2-(5-adenin-9-ylpentoxy)benzyl]phosphonic acid Formula: C17H22N5O4P MolecularWeight: 391.361441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N5O4P/c18-16-15-17(20-11-19-16)22(12-21-15)8-4-1-5-9-26-14-7-3-2-6-13(14)10-27(23,24)25/h2-3,6-7,11-12H,1,4-5,8-10H2,(H2,18,19,20)(H2,23,24,25)