2-[1-[(2-acetamido-6-chloranyl-purin-9-yl)methoxy]ethoxy]propan-2-ylphosphonic acid

Systemtic Name: 2-[1-[(2-acetamido-6-chloranyl-purin-9-yl)methoxy]ethoxy]propan-2-ylphosphonic acid Openeye Name: [1-[1-[(2-acetamido-6-chloro-purin-9-yl)methoxy]ethoxy]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[1-[(2-acetamido-6-chloro-9-purinyl)methoxy]ethoxy]propan-2-ylphosphonic acid IUPAC Name: 2-[1-[(2-acetamido-6-chloropurin-9-yl)methoxy]ethoxy]propan-2-ylphosphonic acid Traditional Name: [1-[1-[(2-acetamido-6-chloro-purin-9-yl)methoxy]ethoxy]-1-methyl-ethyl]phosphonic acid Formula: C13H19ClN5O6P MolecularWeight: 407.746621

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Descriptors Computed from Structure

Canonical SMILES:

CC(OCN1C=NC2=C1N=C(N=C2Cl)NC(=O)C)OC(C)(C)P(=O)(O)O

Isomeric SMILES

CC(OCN1C=NC2=C1N=C(N=C2Cl)NC(=O)C)OC(C)(C)P(=O)(O)O

InChI

InChI=1S/C13H19ClN5O6P/c1-7(20)16-12-17-10(14)9-11(18-12)19(5-15-9)6-24-8(2)25-13(3,4)26(21,22)23/h5,8H,6H2,1-4H3,(H2,21,22,23)(H,16,17,18,20)