5-heptoxy-2-[2-(4-propylphenyl)ethynyl]pyrimidine

Systemtic Name: 5-heptoxy-2-[2-(4-propylphenyl)ethynyl]pyrimidine Openeye Name: 5-heptoxy-2-[2-(4-propylphenyl)ethynyl]pyrimidine CAS Name: 5-heptoxy-2-[2-(4-propylphenyl)ethynyl]pyrimidine IUPAC Name: 5-heptoxy-2-[2-(4-propylphenyl)ethynyl]pyrimidine Traditional Name: 5-heptoxy-2-[2-(4-propylphenyl)ethynyl]pyrimidine Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCC

InChI

InChI=1S/C22H28N2O/c1-3-5-6-7-8-16-25-21-17-23-22(24-18-21)15-14-20-12-10-19(9-4-2)11-13-20/h10-13,17-18H,3-9,16H2,1-2H3