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

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] benzoate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ester Formula: C17H19ClN5O6P MolecularWeight: 455.789421

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(COC(=O)C3=CC=CC=C3)COP(=O)(O)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(COC(=O)C3=CC=CC=C3)COP(=O)(O)O)Cl

InChI

InChI=1S/C17H19ClN5O6P/c1-19-14-13-15(22-17(18)21-14)23(10-20-13)7-11(9-29-30(25,26)27)8-28-16(24)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,19,21,22)(H2,25,26,27)