5-(6-aminopurin-9-yl)-4-oxidanyl-3-[[(E)-3-phenylprop-2-enoyl]amino]oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-4-oxidanyl-3-[[(E)-3-phenylprop-2-enoyl]amino]oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-4-hydroxy-3-[[(E)-3-phenylacryloyl]amino]tetrahydrofuran-2-carboxylic acid Formula: C19H18N6O5 MolecularWeight: 410.38342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O

InChI

InChI=1S/C19H18N6O5/c20-16-13-17(22-8-21-16)25(9-23-13)18-14(27)12(15(30-18)19(28)29)24-11(26)7-6-10-4-2-1-3-5-10/h1-9,12,14-15,18,27H,(H,24,26)(H,28,29)(H2,20,21,22)/b7-6+