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

Systemtic Name: 2-(4-ethynylphenyl)-5-hexoxy-pyrimidine Openeye Name: 2-(4-ethynylphenyl)-5-hexoxy-pyrimidine CAS Name: 2-(4-ethynylphenyl)-5-hexoxypyrimidine IUPAC Name: 2-(4-ethynylphenyl)-5-hexoxypyrimidine Traditional Name: 2-(4-ethynylphenyl)-5-hexoxy-pyrimidine Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C18H20N2O/c1-3-5-6-7-12-21-17-13-19-18(20-14-17)16-10-8-15(4-2)9-11-16/h2,8-11,13-14H,3,5-7,12H2,1H3