2-(4-heptoxyphenyl)-5-(5-hexylpyrimidin-2-yl)pyrimidine

Systemtic Name: 2-(4-heptoxyphenyl)-5-(5-hexylpyrimidin-2-yl)pyrimidine Openeye Name: 2-(4-heptoxyphenyl)-5-(5-hexylpyrimidin-2-yl)pyrimidine CAS Name: 2-(4-heptoxyphenyl)-5-(5-hexyl-2-pyrimidinyl)pyrimidine IUPAC Name: 2-(4-heptoxyphenyl)-5-(5-hexylpyrimidin-2-yl)pyrimidine Traditional Name: 2-(4-heptoxyphenyl)-5-(5-hexylpyrimidin-2-yl)pyrimidine Formula: C27H36N4O MolecularWeight: 432.60094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=NC=C(C=N3)CCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=NC=C(C=N3)CCCCCC

InChI

InChI=1S/C27H36N4O/c1-3-5-7-9-11-17-32-25-15-13-23(14-16-25)26-30-20-24(21-31-26)27-28-18-22(19-29-27)12-10-8-6-4-2/h13-16,18-21H,3-12,17H2,1-2H3