2-[2-azanyl-6-[bis(2-hydroxyethyl)amino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[bis(2-hydroxyethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[bis(2-hydroxyethyl)amino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[bis(2-hydroxyethyl)amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[bis(2-hydroxyethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[bis(2-hydroxyethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Formula: C12H21N6O6P MolecularWeight: 376.305501

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N(CCO)CCO)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N(CCO)CCO)N

InChI

InChI=1S/C12H21N6O6P/c13-12-15-10(17(1-4-19)2-5-20)9-11(16-12)18(7-14-9)3-6-24-8-25(21,22)23/h7,19-20H,1-6,8H2,(H2,13,15,16)(H2,21,22,23)