(Z)-3-(2-azidoethyl)-5-(6-benzamidopurin-9-yl)-4-fluoranyl-pent-3-enoic acid

Systemtic Name: (Z)-3-(2-azidoethyl)-5-(6-benzamidopurin-9-yl)-4-fluoranyl-pent-3-enoic acid Openeye Name: (Z)-3-(2-azidoethyl)-5-(6-benzamidopurin-9-yl)-4-fluoro-pent-3-enoic acid CAS Name: (Z)-3-(2-azidoethyl)-5-(6-benzamido-9-purinyl)-4-fluoro-3-pentenoic acid IUPAC Name: (Z)-3-(2-azidoethyl)-5-(6-benzamidopurin-9-yl)-4-fluoropent-3-enoic acid Traditional Name: (Z)-3-(2-azidoethyl)-5-(6-benzamidopurin-9-yl)-4-fluoro-pent-3-enoic acid Formula: C19H17FN8O3 MolecularWeight: 424.388483

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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-])CC(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN8O3/c20-14(13(8-15(29)30)6-7-25-27-21)9-28-11-24-16-17(22-10-23-18(16)28)26-19(31)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,29,30)(H,22,23,26,31)/b14-13-