pyrimidin-2-yl 2-ethynylpentanoate

Systemtic Name: pyrimidin-2-yl 2-ethynylpentanoate Openeye Name: pyrimidin-2-yl 2-ethynylpentanoate CAS Name: 2-ethynylpentanoic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 2-ethynylpentanoate Traditional Name: 2-propylbut-3-ynoic acid 2-pyrimidyl ester Formula: C11H12N2O2 MolecularWeight: 204.22518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)C(=O)OC1=NC=CC=N1

Isomeric SMILES

CCCC(C#C)C(=O)OC1=NC=CC=N1

InChI

InChI=1S/C11H12N2O2/c1-3-6-9(4-2)10(14)15-11-12-7-5-8-13-11/h2,5,7-9H,3,6H2,1H3