[2-[2,6-bis(chloranyl)purin-7-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[2,6-bis(chloranyl)purin-7-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2,6-dichloropurin-7-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(2,6-dichloro-7-purinyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(2,6-dichloropurin-7-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2,6-dichloropurin-7-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H8Cl2N4O6P2 MolecularWeight: 377.015142

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(P(=O)(O)O)P(=O)(O)O)C(=NC(=N2)Cl)Cl

Isomeric SMILES

C1=NC2=C(N1CC(P(=O)(O)O)P(=O)(O)O)C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C7H8Cl2N4O6P2/c8-5-4-6(12-7(9)11-5)10-2-13(4)1-3(20(14,15)16)21(17,18)19/h2-3H,1H2,(H2,14,15,16)(H2,17,18,19)