2-[6-[1-(prop-2-enylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-[1-(prop-2-enylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-[1-(allylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-[1-(prop-2-enylamino)ethyl]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-[1-(prop-2-enylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-[1-(allylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Formula: C13H20N5O4P MolecularWeight: 341.302761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O)NCC=C

Isomeric SMILES

CC(C1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O)NCC=C

InChI

InChI=1S/C13H20N5O4P/c1-3-4-14-10(2)11-12-13(16-7-15-11)18(8-17-12)5-6-22-9-23(19,20)21/h3,7-8,10,14H,1,4-6,9H2,2H3,(H2,19,20,21)