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

Systemtic Name: [[2-chloranyl-6-(methylamino)purin-9-yl]-(3-oxidanylpropoxy)methyl] ethanoate Openeye Name: [[2-chloro-6-(methylamino)purin-9-yl]-(3-hydroxypropoxy)methyl] acetate CAS Name: acetic acid [[2-chloro-6-(methylamino)-9-purinyl]-(3-hydroxypropoxy)methyl] ester IUPAC Name: [[2-chloro-6-(methylamino)purin-9-yl]-(3-hydroxypropoxy)methyl] acetate Traditional Name: acetic acid [[2-chloro-6-(methylamino)purin-9-yl]-(3-hydroxypropoxy)methyl] ester Formula: C12H16ClN5O4 MolecularWeight: 329.73954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(N1C=NC2=C1N=C(N=C2NC)Cl)OCCCO

Isomeric SMILES

CC(=O)OC(N1C=NC2=C1N=C(N=C2NC)Cl)OCCCO

InChI

InChI=1S/C12H16ClN5O4/c1-7(20)22-12(21-5-3-4-19)18-6-15-8-9(14-2)16-11(13)17-10(8)18/h6,12,19H,3-5H2,1-2H3,(H,14,16,17)