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

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)ethoxymethyl-(3-cetyloxypropoxy)phosphinic acid Formula: C27H50N5O6P MolecularWeight: 571.689561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-19-16-20-38-39(34,35)23-37-21-17-32-22-29-24-25(32)30-27(28)31-26(24)33/h22H,2-21,23H2,1H3,(H,34,35)(H3,28,30,31,33)