5-(4-octadecoxyphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 5-(4-octadecoxyphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 5-(4-octadecoxyphenyl)-2-(4-pyridyl)pyrimidine CAS Name: 5-(4-octadecoxyphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 5-(4-octadecoxyphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 2-(4-pyridyl)-5-(4-stearyloxyphenyl)pyrimidine Formula: C33H47N3O MolecularWeight: 501.74578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=NC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=NC=C3

InChI

InChI=1S/C33H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-32-20-18-29(19-21-32)31-27-35-33(36-28-31)30-22-24-34-25-23-30/h18-25,27-28H,2-17,26H2,1H3