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

Systemtic Name: [4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [4-(4-amino-2-oxo-pyrimidin-1-yl)-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [4-(4-amino-2-oxo-1-pyrimidinyl)-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [4-(4-amino-2-oxopyrimidin-1-yl)-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [4-(4-amino-2-keto-pyrimidin-1-yl)-1-phenyl-butyl]phosphonic acid; sodium Formula: C14H18N3NaO4P MolecularWeight: 346.273951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN2C=CC(=NC2=O)N)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN2C=CC(=NC2=O)N)P(=O)(O)O.[Na]

InChI

InChI=1S/C14H18N3O4P.Na/c15-13-8-10-17(14(18)16-13)9-4-7-12(22(19,20)21)11-5-2-1-3-6-11;/h1-3,5-6,8,10,12H,4,7,9H2,(H2,15,16,18)(H2,19,20,21);