5-octyl-2-[2-(4-pentylphenyl)pyrimidin-5-yl]pyrimidine

Systemtic Name: 5-octyl-2-[2-(4-pentylphenyl)pyrimidin-5-yl]pyrimidine Openeye Name: 5-octyl-2-[2-(4-pentylphenyl)pyrimidin-5-yl]pyrimidine CAS Name: 5-octyl-2-[2-(4-pentylphenyl)-5-pyrimidinyl]pyrimidine IUPAC Name: 5-octyl-2-[2-(4-pentylphenyl)pyrimidin-5-yl]pyrimidine Traditional Name: 2-(4-amylphenyl)-5-(5-octylpyrimidin-2-yl)pyrimidine Formula: C27H36N4 MolecularWeight: 416.60154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H36N4/c1-3-5-7-8-9-11-13-23-18-28-27(29-19-23)25-20-30-26(31-21-25)24-16-14-22(15-17-24)12-10-6-4-2/h14-21H,3-13H2,1-2H3