sodium [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl]-ethoxy-phosphinate

Systemtic Name: sodium [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl]-ethoxy-phosphinate Openeye Name: sodium [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-butyl]-ethoxy-phosphinate CAS Name: sodium [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl]-ethoxyphosphinate IUPAC Name: sodium [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl]-ethoxyphosphinate Traditional Name: sodium [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-butyl]-ethoxy-phosphinate Formula: C12H19N5NaO5P MolecularWeight: 367.273291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(CN1C=NC2=C1NC(=NC2=O)N)CO)[O-].[Na+]

Isomeric SMILES

CCOP(=O)(CCC(CN1C=NC2=C1NC(=NC2=O)N)CO)[O-].[Na+]

InChI

InChI=1S/C12H20N5O5P.Na/c1-2-22-23(20,21)4-3-8(6-18)5-17-7-14-9-10(17)15-12(13)16-11(9)19;/h7-8,18H,2-6H2,1H3,(H,20,21)(H3,13,15,16,19);/q;+1/p-1