2-[2-azanyl-6-[bis(prop-2-enyl)amino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[bis(prop-2-enyl)amino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(diallylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[bis(prop-2-enyl)amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[bis(prop-2-enyl)amino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(diallylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H21N6O4P MolecularWeight: 368.328101

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

C=CCN(CC=C)C1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C14H21N6O4P/c1-3-5-19(6-4-2)12-11-13(18-14(15)17-12)20(9-16-11)7-8-24-10-25(21,22)23/h3-4,9H,1-2,5-8,10H2,(H2,15,17,18)(H2,21,22,23)