2-(4-hexylphenyl)-5-[4-(3-methylpentoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-hexylphenyl)-5-[4-(3-methylpentoxy)phenyl]pyrimidine Openeye Name: 2-(4-hexylphenyl)-5-[4-(3-methylpentoxy)phenyl]pyrimidine CAS Name: 2-(4-hexylphenyl)-5-[4-(3-methylpentoxy)phenyl]pyrimidine IUPAC Name: 2-(4-hexylphenyl)-5-[4-(3-methylpentoxy)phenyl]pyrimidine Traditional Name: 2-(4-hexylphenyl)-5-[4-(3-methylpentoxy)phenyl]pyrimidine Formula: C28H36N2O MolecularWeight: 416.59824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCC(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCC(C)CC

InChI

InChI=1S/C28H36N2O/c1-4-6-7-8-9-23-10-12-25(13-11-23)28-29-20-26(21-30-28)24-14-16-27(17-15-24)31-19-18-22(3)5-2/h10-17,20-22H,4-9,18-19H2,1-3H3