N-[9-[(Z)-3-(2-azidoethyl)-2-fluoranyl-5-oxidanyl-pent-2-enyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(Z)-3-(2-azidoethyl)-2-fluoranyl-5-oxidanyl-pent-2-enyl]purin-6-yl]benzamide Openeye Name: N-[9-[(Z)-3-(2-azidoethyl)-2-fluoro-5-hydroxy-pent-2-enyl]purin-6-yl]benzamide CAS Name: N-[9-[(Z)-3-(2-azidoethyl)-2-fluoro-5-hydroxypent-2-enyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(Z)-3-(2-azidoethyl)-2-fluoro-5-hydroxypent-2-enyl]purin-6-yl]benzamide Traditional Name: N-[9-[(Z)-3-(2-azidoethyl)-2-fluoro-5-hydroxy-pent-2-enyl]purin-6-yl]benzamide Formula: C19H19FN8O2 MolecularWeight: 410.404963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3CC(=C(CCN=[N+]=[N-])CCO)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C/C(=C(\CCN=[N+]=[N-])/CCO)/F

InChI

InChI=1S/C19H19FN8O2/c20-15(13(7-9-29)6-8-25-27-21)10-28-12-24-16-17(22-11-23-18(16)28)26-19(30)14-4-2-1-3-5-14/h1-5,11-12,29H,6-10H2,(H,22,23,26,30)/b15-13-