[3-[[2,6-bis(azanyl)purin-9-yl]methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid; sodium

Systemtic Name: [3-[[2,6-bis(azanyl)purin-9-yl]methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [3-[(2,6-diaminopurin-9-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [3-[(2,6-diamino-9-purinyl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [3-[(2,6-diaminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [3-[(2,6-diaminopurin-9-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium Formula: C16H21N6NaO4P MolecularWeight: 415.339271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N6O4P.Na/c17-14-13-15(21-16(18)20-14)22(9-19-13)7-10(8-23)6-12(27(24,25)26)11-4-2-1-3-5-11;/h1-5,9-10,12,23H,6-8H2,(H2,24,25,26)(H4,17,18,20,21);