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

Systemtic Name: 5-heptyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-heptyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine CAS Name: 5-heptyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-heptyl-2-[2-(4-pentoxyphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amoxyphenyl)ethynyl]-5-heptyl-pyrimidine Formula: C24H32N2O MolecularWeight: 364.52368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCCC

InChI

InChI=1S/C24H32N2O/c1-3-5-7-8-9-11-22-19-25-24(26-20-22)17-14-21-12-15-23(16-13-21)27-18-10-6-4-2/h12-13,15-16,19-20H,3-11,18H2,1-2H3