2-[2-(4-butoxyphenyl)ethynyl]-5-methyl-pyrimidine

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-methyl-pyrimidine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-methyl-pyrimidine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-methylpyrimidine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-methylpyrimidine Traditional Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-methyl-pyrimidine Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)C

InChI

InChI=1S/C17H18N2O/c1-3-4-11-20-16-8-5-15(6-9-16)7-10-17-18-12-14(2)13-19-17/h5-6,8-9,12-13H,3-4,11H2,1-2H3