[4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid

Systemtic Name: [4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Openeye Name: [4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid CAS Name: [4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid IUPAC Name: [4-[3-(6-aminopurin-9-yl)propoxy]phenyl]methylphosphonic acid Traditional Name: [4-(3-adenin-9-ylpropoxy)benzyl]phosphonic acid Formula: C15H18N5O4P MolecularWeight: 363.308281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)O)OCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)OCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C15H18N5O4P/c16-14-13-15(18-9-17-14)20(10-19-13)6-1-7-24-12-4-2-11(3-5-12)8-25(21,22)23/h2-5,9-10H,1,6-8H2,(H2,16,17,18)(H2,21,22,23)