N-[9-[2-(hydroxymethyl)-1-oxidanyl-4-oxidanylidene-azetidin-3-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[2-(hydroxymethyl)-1-oxidanyl-4-oxidanylidene-azetidin-3-yl]purin-6-yl]benzamide Openeye Name: N-[9-[1-hydroxy-2-(hydroxymethyl)-4-oxo-azetidin-3-yl]purin-6-yl]benzamide CAS Name: N-[9-[1-hydroxy-2-(hydroxymethyl)-4-oxo-3-azetidinyl]-6-purinyl]benzamide IUPAC Name: N-[9-[1-hydroxy-2-(hydroxymethyl)-4-oxoazetidin-3-yl]purin-6-yl]benzamide Traditional Name: N-[9-(1-hydroxy-2-keto-4-methylol-azetidin-3-yl)purin-6-yl]benzamide Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(N(C4=O)O)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(N(C4=O)O)CO

InChI

InChI=1S/C16H14N6O4/c23-6-10-12(16(25)22(10)26)21-8-19-11-13(17-7-18-14(11)21)20-15(24)9-4-2-1-3-5-9/h1-5,7-8,10,12,23,26H,6H2,(H,17,18,20,24)