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

Systemtic Name: 2-[2-azanyl-6-[1-(prop-2-enylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-[1-(allylamino)ethyl]-2-amino-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[1-(prop-2-enylamino)ethyl]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[1-(prop-2-enylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-[1-(allylamino)ethyl]-2-amino-purin-9-yl]ethoxymethylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N6O4P/c1-3-4-15-9(2)10-11-12(18-13(14)17-10)19(7-16-11)5-6-23-8-24(20,21)22/h3,7,9,15H,1,4-6,8H2,2H3,(H2,14,17,18)(H2,20,21,22)