N-[9-[1-[1,3-bis(oxidanyl)propan-2-yloxy]-2-oxidanyl-ethyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[1-[1,3-bis(oxidanyl)propan-2-yloxy]-2-oxidanyl-ethyl]purin-6-yl]benzamide Openeye Name: N-[9-[2-hydroxy-1-[2-hydroxy-1-(hydroxymethyl)ethoxy]ethyl]purin-6-yl]benzamide CAS Name: N-[9-[1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxyethyl]-6-purinyl]benzamide IUPAC Name: N-[9-[1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxyethyl]purin-6-yl]benzamide Traditional Name: N-[9-[2-hydroxy-1-(2-hydroxy-1-methylol-ethoxy)ethyl]purin-6-yl]benzamide Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(CO)OC(CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(CO)OC(CO)CO

InChI

InChI=1S/C17H19N5O5/c23-6-12(7-24)27-13(8-25)22-10-20-14-15(18-9-19-16(14)22)21-17(26)11-4-2-1-3-5-11/h1-5,9-10,12-13,23-25H,6-8H2,(H,18,19,21,26)