2-(4-butoxyphenyl)-5-[4-(6-methyloctoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-butoxyphenyl)-5-[4-(6-methyloctoxy)phenyl]pyrimidine Openeye Name: 2-(4-butoxyphenyl)-5-[4-(6-methyloctoxy)phenyl]pyrimidine CAS Name: 2-(4-butoxyphenyl)-5-[4-(6-methyloctoxy)phenyl]pyrimidine IUPAC Name: 2-(4-butoxyphenyl)-5-[4-(6-methyloctoxy)phenyl]pyrimidine Traditional Name: 2-(4-butoxyphenyl)-5-[4-(6-methyloctoxy)phenyl]pyrimidine Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCC(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCC(C)CC

InChI

InChI=1S/C29H38N2O2/c1-4-6-19-32-28-17-13-25(14-18-28)29-30-21-26(22-31-29)24-11-15-27(16-12-24)33-20-9-7-8-10-23(3)5-2/h11-18,21-23H,4-10,19-20H2,1-3H3