2-(4-butoxyphenyl)-5-[4-(5-methylheptoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-butoxyphenyl)-5-[4-(5-methylheptoxy)phenyl]pyrimidine Openeye Name: 2-(4-butoxyphenyl)-5-[4-(5-methylheptoxy)phenyl]pyrimidine CAS Name: 2-(4-butoxyphenyl)-5-[4-(5-methylheptoxy)phenyl]pyrimidine IUPAC Name: 2-(4-butoxyphenyl)-5-[4-(5-methylheptoxy)phenyl]pyrimidine Traditional Name: 2-(4-butoxyphenyl)-5-[4-(5-methylheptoxy)phenyl]pyrimidine Formula: C28H36N2O2 MolecularWeight: 432.59764

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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)OCCCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O2/c1-4-6-18-31-27-16-12-24(13-17-27)28-29-20-25(21-30-28)23-10-14-26(15-11-23)32-19-8-7-9-22(3)5-2/h10-17,20-22H,4-9,18-19H2,1-3H3