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

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] propanoate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ester Formula: C13H19ClN5O6P MolecularWeight: 407.746621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN5O6P/c1-3-9(20)24-5-8(6-25-26(21,22)23)4-19-7-16-10-11(15-2)17-13(14)18-12(10)19/h7-8H,3-6H2,1-2H3,(H,15,17,18)(H2,21,22,23)