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

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-propanoyloxy-propyl] propanoate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-propanoyloxy-propyl] propanoate CAS Name: propanoic acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-(1-oxopropoxy)propyl] ester IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-propanoyloxypropyl] propanoate Traditional Name: propionic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-propionyloxy-propyl] ester Formula: C16H22ClN5O4 MolecularWeight: 383.82998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5O4/c1-4-11(23)25-7-10(8-26-12(24)5-2)6-22-9-19-13-14(18-3)20-16(17)21-15(13)22/h9-10H,4-8H2,1-3H3,(H,18,20,21)