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

Systemtic Name: 2-[2-azanyl-6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(cyclohexylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(cyclohexylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H23N6O4P MolecularWeight: 370.343981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N6O4P/c15-14-18-12(17-10-4-2-1-3-5-10)11-13(19-14)20(8-16-11)6-7-24-9-25(21,22)23/h8,10H,1-7,9H2,(H2,21,22,23)(H3,15,17,18,19)