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

Systemtic Name: N-[9-[2-(hydroxymethyl)-1-oxidanyl-4-oxidanylidene-azetidin-3-yl]-6-oxidanylidene-3H-purin-2-yl]benzamide Openeye Name: N-[9-[1-hydroxy-2-(hydroxymethyl)-4-oxo-azetidin-3-yl]-6-oxo-3H-purin-2-yl]benzamide CAS Name: N-[9-[1-hydroxy-2-(hydroxymethyl)-4-oxo-3-azetidinyl]-6-oxo-3H-purin-2-yl]benzamide IUPAC Name: N-[9-[1-hydroxy-2-(hydroxymethyl)-4-oxoazetidin-3-yl]-6-oxo-3H-purin-2-yl]benzamide Traditional Name: N-[9-(1-hydroxy-2-keto-4-methylol-azetidin-3-yl)-6-keto-3H-purin-2-yl]benzamide Formula: C16H14N6O5 MolecularWeight: 370.31956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(N(C4=O)O)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(N(C4=O)O)CO

InChI

InChI=1S/C16H14N6O5/c23-6-9-11(15(26)22(9)27)21-7-17-10-12(21)18-16(20-14(10)25)19-13(24)8-4-2-1-3-5-8/h1-5,7,9,11,23,27H,6H2,(H2,18,19,20,24,25)