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

Systemtic Name: 2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(cyclopropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H17N6O4P MolecularWeight: 328.264241

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C11H17N6O4P/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-21-6-22(18,19)20/h5,7H,1-4,6H2,(H2,18,19,20)(H3,12,14,15,16)