2-[6-(prop-2-enylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(prop-2-enylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(allylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(prop-2-enylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(prop-2-enylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(allylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H16N5O4P MolecularWeight: 313.249601

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

C=CCNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C11H16N5O4P/c1-2-3-12-10-9-11(14-6-13-10)16(7-15-9)4-5-20-8-21(17,18)19/h2,6-7H,1,3-5,8H2,(H,12,13,14)(H2,17,18,19)