[3-[(6-aminopurin-9-yl)methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid; sodium

Systemtic Name: [3-[(6-aminopurin-9-yl)methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [3-(adenin-9-ylmethyl)-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium Formula: C16H20N5NaO4P MolecularWeight: 400.324631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CN2C=NC3=C2N=CN=C3N)CO)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(CN2C=NC3=C2N=CN=C3N)CO)P(=O)(O)O.[Na]

InChI

InChI=1S/C16H20N5O4P.Na/c17-15-14-16(19-9-18-15)21(10-20-14)7-11(8-22)6-13(26(23,24)25)12-4-2-1-3-5-12;/h1-5,9-11,13,22H,6-8H2,(H2,17,18,19)(H2,23,24,25);