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

Systemtic Name: 2-[2-azanyl-6-(2-phosphonoethylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(2-phosphonoethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(2-phosphonoethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(2-phosphonoethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(2-phosphonoethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C10H18N6O7P2 MolecularWeight: 396.233442

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCP(=O)(O)O)N

InChI

InChI=1S/C10H18N6O7P2/c11-10-14-8(12-1-4-24(17,18)19)7-9(15-10)16(5-13-7)2-3-23-6-25(20,21)22/h5H,1-4,6H2,(H2,17,18,19)(H2,20,21,22)(H3,11,12,14,15)