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

Systemtic Name: 2-[6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(cyclohexylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H22N5O4P MolecularWeight: 355.329341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC3=C2N=CN3CCOCP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC3=C2N=CN3CCOCP(=O)(O)O

InChI

InChI=1S/C14H22N5O4P/c20-24(21,22)10-23-7-6-19-9-17-12-13(15-8-16-14(12)19)18-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,15,16,18)(H2,20,21,22)