2-(4-heptylphenyl)-5-[4-(2-methylbutoxy)phenyl]pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)CC

InChI

InChI=1S/C28H36N2O/c1-4-6-7-8-9-10-23-11-13-25(14-12-23)28-29-19-26(20-30-28)24-15-17-27(18-16-24)31-21-22(3)5-2/h11-20,22H,4-10,21H2,1-3H3