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

Systemtic Name: [2-(acetyloxymethyl)-3-[2-chloranyl-6-(methylamino)purin-9-yl]propyl] ethanoate Openeye Name: [2-(acetoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] ester Formula: C14H18ClN5O4 MolecularWeight: 355.77682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)4-20-7-17-11-12(16-3)18-14(15)19-13(11)20/h7,10H,4-6H2,1-3H3,(H,16,18,19)