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

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ethanoate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ester Formula: C12H17ClN5O6P MolecularWeight: 393.720041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN5O6P/c1-7(19)23-4-8(5-24-25(20,21)22)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8H,3-5H2,1-2H3,(H,14,16,17)(H2,20,21,22)