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

Systemtic Name: 5-butyl-2-(4-ethynylphenyl)pyrimidine Openeye Name: 5-butyl-2-(4-ethynylphenyl)pyrimidine CAS Name: 5-butyl-2-(4-ethynylphenyl)pyrimidine IUPAC Name: 5-butyl-2-(4-ethynylphenyl)pyrimidine Traditional Name: 5-butyl-2-(4-ethynylphenyl)pyrimidine Formula: C16H16N2 MolecularWeight: 236.31164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C16H16N2/c1-3-5-6-14-11-17-16(18-12-14)15-9-7-13(4-2)8-10-15/h2,7-12H,3,5-6H2,1H3