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

Systemtic Name: 2-[2-azanyl-6-(cyclooctylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(cyclooctylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(cyclooctylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(cyclooctylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(cyclooctylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C16H27N6O4P MolecularWeight: 398.397141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CCCC(CCC1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C16H27N6O4P/c17-16-20-14(19-12-6-4-2-1-3-5-7-12)13-15(21-16)22(10-18-13)8-9-26-11-27(23,24)25/h10,12H,1-9,11H2,(H2,23,24,25)(H3,17,19,20,21)