2-[6-[[(8E,11E)-heptadeca-8,11-dienyl]carbamoylamino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-[[(8E,11E)-heptadeca-8,11-dienyl]carbamoylamino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-[[(8E,11E)-heptadeca-8,11-dienyl]carbamoylamino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-[[[[(8E,11E)-heptadeca-8,11-dienyl]amino]-oxomethyl]amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-[[(8E,11E)-heptadeca-8,11-dienyl]carbamoylamino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-[[(8E,11E)-heptadeca-8,11-dienyl]carbamoylamino]purin-9-yl]ethoxymethylphosphonic acid Formula: C26H43N6O5P MolecularWeight: 550.630581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCNC(=O)NC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCNC(=O)NC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C26H43N6O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-26(33)31-24-23-25(29-20-28-24)32(21-30-23)18-19-37-22-38(34,35)36/h6-7,9-10,20-21H,2-5,8,11-19,22H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/b7-6+,10-9+