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

Systemtic Name: 2-[2-azanyl-6-(cycloheptylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(cycloheptylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(cycloheptylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(cycloheptylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(cycloheptylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C15H25N6O4P MolecularWeight: 384.370561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C15H25N6O4P/c16-15-19-13(18-11-5-3-1-2-4-6-11)12-14(20-15)21(9-17-12)7-8-25-10-26(22,23)24/h9,11H,1-8,10H2,(H2,22,23,24)(H3,16,18,19,20)