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

Systemtic Name: [3-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Openeye Name: [3-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid CAS Name: [3-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid IUPAC Name: [3-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Traditional Name: [3-(3-adenin-9-ylpropoxy)benzyl]phosphonic acid Formula: C15H18N5O4P MolecularWeight: 363.308281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCN2C=NC3=C2N=CN=C3N)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCCN2C=NC3=C2N=CN=C3N)CP(=O)(O)O

InChI

InChI=1S/C15H18N5O4P/c16-14-13-15(18-9-17-14)20(10-19-13)5-2-6-24-12-4-1-3-11(7-12)8-25(21,22)23/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,17,18)(H2,21,22,23)