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

Systemtic Name: [3-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [3-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [3-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [3-[(4-amino-2-oxopyrimidin-1-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [3-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid; sodium Formula: C15H20N3NaO5P MolecularWeight: 376.299931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CN2C=CC(=NC2=O)N)CO)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(CN2C=CC(=NC2=O)N)CO)P(=O)(O)O.[Na]

InChI

InChI=1S/C15H20N3O5P.Na/c16-14-6-7-18(15(20)17-14)9-11(10-19)8-13(24(21,22)23)12-4-2-1-3-5-12;/h1-7,11,13,19H,8-10H2,(H2,16,17,20)(H2,21,22,23);