N-[2-acetamido-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]ethanamide

Systemtic Name: N-[2-acetamido-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]ethanamide Openeye Name: N-[2-acetamido-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]acetamide CAS Name: N-[2-acetamido-9-(2,3-dihydroxypropoxymethyl)-6-purinyl]acetamide IUPAC Name: N-[2-acetamido-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]acetamide Traditional Name: N-[2-acetamido-9-(glyceryloxymethyl)purin-6-yl]acetamide Formula: C13H18N6O5 MolecularWeight: 338.31922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC2=C1N=CN2COCC(CO)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=NC2=C1N=CN2COCC(CO)O)NC(=O)C

InChI

InChI=1S/C13H18N6O5/c1-7(21)15-11-10-12(18-13(17-11)16-8(2)22)19(5-14-10)6-24-4-9(23)3-20/h5,9,20,23H,3-4,6H2,1-2H3,(H2,15,16,17,18,21,22)