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

Systemtic Name: 2-[2-azanyl-6-[1-(dimethylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[1-(dimethylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[1-(dimethylamino)ethyl]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[1-(dimethylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[1-(dimethylamino)ethyl]purin-9-yl]ethoxymethylphosphonic acid Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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