2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(2-octadecoxyethoxy)phosphinic acid Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)ethoxymethyl-(2-stearyloxyethoxy)phosphinic acid Formula: C28H52N5O6P MolecularWeight: 585.716141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCOP(=O)(COCCN1C=NC2=C1NC(=NC2=O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCOP(=O)(COCCN1C=NC2=C1NC(=NC2=O)N)O

InChI

InChI=1S/C28H52N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-21-22-39-40(35,36)24-38-20-18-33-23-30-25-26(33)31-28(29)32-27(25)34/h23H,2-22,24H2,1H3,(H,35,36)(H3,29,31,32,34)