(1S,2S,3R,4R)-2-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: (1S,2S,3R,4R)-2-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: (1S,2S,3R,4R)-2-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: (1S,2S,3R,4R)-2-[oxo-(2-pyrimidinylamino)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: (1S,2S,3R,4R)-2-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: (1S,2S,3R,4R)-2-(2-pyrimidylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)O3

InChI

InChI=1S/C12H11N3O4/c16-10(15-12-13-4-1-5-14-12)8-6-2-3-7(19-6)9(8)11(17)18/h1-9H,(H,17,18)(H,13,14,15,16)/t6-,7+,8+,9-/m0/s1