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

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-oxidanyl-propyl] ethanoate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-hydroxy-propyl] acetate CAS Name: acetic acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-hydroxypropyl] ester IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-hydroxypropyl] acetate Traditional Name: acetic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-hydroxy-propyl] ester Formula: C12H16ClN5O3 MolecularWeight: 313.74014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN5O3/c1-7(20)21-5-8(4-19)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8,19H,3-5H2,1-2H3,(H,14,16,17)