[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] 2,2-dimethylpropanoate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-phosphonooxypropyl] ester IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ester Formula: C15H23ClN5O6P MolecularWeight: 435.799781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COP(=O)(O)O

Isomeric SMILES

CC(C)(C)C(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COP(=O)(O)O

InChI

InChI=1S/C15H23ClN5O6P/c1-15(2,3)13(22)26-6-9(7-27-28(23,24)25)5-21-8-18-10-11(17-4)19-14(16)20-12(10)21/h8-9H,5-7H2,1-4H3,(H,17,19,20)(H2,23,24,25)