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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CC(C1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C12H19N6O4P/c13-12-16-10(15-8-2-1-3-8)9-11(17-12)18(6-14-9)4-5-22-7-23(19,20)21/h6,8H,1-5,7H2,(H2,19,20,21)(H3,13,15,16,17)