2-[2-azanyl-6-(but-3-enylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(but-3-enylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(but-3-enylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(but-3-enylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(but-3-enylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(but-3-enylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H19N6O4P MolecularWeight: 342.290821

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

C=CCCNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C12H19N6O4P/c1-2-3-4-14-10-9-11(17-12(13)16-10)18(7-15-9)5-6-22-8-23(19,20)21/h2,7H,1,3-6,8H2,(H2,19,20,21)(H3,13,14,16,17)