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

Systemtic Name: 5-methyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-methyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine CAS Name: 5-methyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-methyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amoxyphenyl)ethynyl]-5-methyl-pyrimidine Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)C

InChI

InChI=1S/C18H20N2O/c1-3-4-5-12-21-17-9-6-16(7-10-17)8-11-18-19-13-15(2)14-20-18/h6-7,9-10,13-14H,3-5,12H2,1-2H3