[2-(6-chloranylpurin-9-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(6-chloranylpurin-9-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(6-chloropurin-9-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(6-chloro-9-purinyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(6-chloropurin-9-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(6-chloropurin-9-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H9ClN4O6P2 MolecularWeight: 342.570082

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)Cl)N=CN2CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)Cl)N=CN2CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H9ClN4O6P2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(19(13,14)15)20(16,17)18/h2-4H,1H2,(H2,13,14,15)(H2,16,17,18)