[2-(acetyloxymethyl)-3-[2-chloranyl-6-(methylamino)purin-9-yl]propyl] 2-phenylethanoate

Systemtic Name: [2-(acetyloxymethyl)-3-[2-chloranyl-6-(methylamino)purin-9-yl]propyl] 2-phenylethanoate Openeye Name: [2-(acetoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [2-(acetyloxymethyl)-3-[2-chloro-6-(methylamino)-9-purinyl]propyl] ester IUPAC Name: [2-(acetyloxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [2-(acetoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] ester Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN5O4/c1-13(27)29-10-15(11-30-16(28)8-14-6-4-3-5-7-14)9-26-12-23-17-18(22-2)24-20(21)25-19(17)26/h3-7,12,15H,8-11H2,1-2H3,(H,22,24,25)