[2-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid

Systemtic Name: [2-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Openeye Name: [2-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid CAS Name: [2-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid IUPAC Name: [2-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Traditional Name: [2-(3-adenin-9-ylpropoxy)benzyl]phosphonic acid Formula: C15H18N5O4P MolecularWeight: 363.308281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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