2-(4-ethynylphenyl)-5-pentoxy-pyrimidine

Systemtic Name: 2-(4-ethynylphenyl)-5-pentoxy-pyrimidine Openeye Name: 2-(4-ethynylphenyl)-5-pentoxy-pyrimidine CAS Name: 2-(4-ethynylphenyl)-5-pentoxypyrimidine IUPAC Name: 2-(4-ethynylphenyl)-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-(4-ethynylphenyl)pyrimidine Formula: C17H18N2O MolecularWeight: 266.33762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C17H18N2O/c1-3-5-6-11-20-16-12-18-17(19-13-16)15-9-7-14(4-2)8-10-15/h2,7-10,12-13H,3,5-6,11H2,1H3