2-[2-(4-propoxyphenyl)ethynyl]-5-propyl-pyrimidine

Systemtic Name: 2-[2-(4-propoxyphenyl)ethynyl]-5-propyl-pyrimidine Openeye Name: 2-[2-(4-propoxyphenyl)ethynyl]-5-propyl-pyrimidine CAS Name: 2-[2-(4-propoxyphenyl)ethynyl]-5-propylpyrimidine IUPAC Name: 2-[2-(4-propoxyphenyl)ethynyl]-5-propylpyrimidine Traditional Name: 2-[2-(4-propoxyphenyl)ethynyl]-5-propyl-pyrimidine Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCC

InChI

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