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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)-1-phenyl-butyl]phosphonic acid; sodium Formula: C15H18N5NaO4P MolecularWeight: 386.298051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O.[Na]

InChI

InChI=1S/C15H18N5O4P.Na/c16-15-18-13-12(14(21)19-15)17-9-20(13)8-4-7-11(25(22,23)24)10-5-2-1-3-6-10;/h1-3,5-6,9,11H,4,7-8H2,(H2,22,23,24)(H3,16,18,19,21);