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

Systemtic Name: 2-[2-azanyl-6-(cyclopentylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(cyclopentylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(cyclopentylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(cyclopentylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(cyclopentylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C13H21N6O4P/c14-13-17-11(16-9-3-1-2-4-9)10-12(18-13)19(7-15-10)5-6-23-8-24(20,21)22/h7,9H,1-6,8H2,(H2,20,21,22)(H3,14,16,17,18)