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

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium Formula: C16H20N5NaO5P MolecularWeight: 416.324031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CN2C=NC3=C2NC(=NC3=O)N)CO)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(CN2C=NC3=C2NC(=NC3=O)N)CO)P(=O)(O)O.[Na]

InChI

InChI=1S/C16H20N5O5P.Na/c17-16-19-14-13(15(23)20-16)18-9-21(14)7-10(8-22)6-12(27(24,25)26)11-4-2-1-3-5-11;/h1-5,9-10,12,22H,6-8H2,(H2,24,25,26)(H3,17,19,20,23);