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

Systemtic Name: 2-(4-ethynylphenyl)-5-hexyl-pyrimidine Openeye Name: 2-(4-ethynylphenyl)-5-hexyl-pyrimidine CAS Name: 2-(4-ethynylphenyl)-5-hexylpyrimidine IUPAC Name: 2-(4-ethynylphenyl)-5-hexylpyrimidine Traditional Name: 2-(4-ethynylphenyl)-5-hexyl-pyrimidine Formula: C18H20N2 MolecularWeight: 264.3648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C18H20N2/c1-3-5-6-7-8-16-13-19-18(20-14-16)17-11-9-15(4-2)10-12-17/h2,9-14H,3,5-8H2,1H3