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

Systemtic Name: 2-[1-[[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]methoxy]-2-oxidanyl-ethoxy]propan-2-ylphosphonic acid Openeye Name: [1-[1-[[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]methoxy]-2-hydroxy-ethoxy]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[1-[[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]methoxy]-2-hydroxyethoxy]propan-2-ylphosphonic acid IUPAC Name: 2-[1-[[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]methoxy]-2-hydroxyethoxy]propan-2-ylphosphonic acid Traditional Name: [1-[1-[[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]methoxy]-2-hydroxy-ethoxy]-1-methyl-ethyl]phosphonic acid Formula: C26H29N6O9P MolecularWeight: 600.517021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2COC(CO)OC(C)(C)P(=O)(O)O

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2COC(CO)OC(C)(C)P(=O)(O)O

InChI

InChI=1S/C26H29N6O9P/c1-17(34)28-24-29-22-21(27-15-31(22)16-39-20(14-33)41-26(2,3)42(36,37)38)23(30-24)40-25(35)32(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,20,33H,14,16H2,1-3H3,(H2,36,37,38)(H,28,29,30,34)