ethenyl (1R,6R)-5-pyrimidin-5-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate

Systemtic Name: ethenyl (1R,6R)-5-pyrimidin-5-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Openeye Name: vinyl (1R,6R)-5-pyrimidin-5-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate CAS Name: (1R,6R)-5-(5-pyrimidinyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid ethenyl ester IUPAC Name: ethenyl (1R,6R)-5-pyrimidin-5-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Traditional Name: (1R,6R)-5-(5-pyrimidyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid vinyl ester Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)N1C2CCC=C(C1CC2)C3=CN=CN=C3

Isomeric SMILES

C=COC(=O)N1[C@@H]2CCC=C([C@H]1CC2)C3=CN=CN=C3

InChI

InChI=1S/C15H17N3O2/c1-2-20-15(19)18-12-4-3-5-13(14(18)7-6-12)11-8-16-10-17-9-11/h2,5,8-10,12,14H,1,3-4,6-7H2/t12-,14-/m1/s1