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

Systemtic Name: 2-(4-ethynylphenyl)-5-pentyl-pyrimidine Openeye Name: 2-(4-ethynylphenyl)-5-pentyl-pyrimidine CAS Name: 2-(4-ethynylphenyl)-5-pentylpyrimidine IUPAC Name: 2-(4-ethynylphenyl)-5-pentylpyrimidine Traditional Name: 5-amyl-2-(4-ethynylphenyl)pyrimidine Formula: C17H18N2 MolecularWeight: 250.33822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C17H18N2/c1-3-5-6-7-15-12-18-17(19-13-15)16-10-8-14(4-2)9-11-16/h2,8-13H,3,5-7H2,1H3