2-[2-azanyl-6-(2-methylpropylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(2-methylpropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(isobutylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(2-methylpropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(2-methylpropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(isobutylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C12H21N6O4P/c1-8(2)5-14-10-9-11(17-12(13)16-10)18(6-15-9)3-4-22-7-23(19,20)21/h6,8H,3-5,7H2,1-2H3,(H2,19,20,21)(H3,13,14,16,17)