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

Systemtic Name: 5-octyl-2-[2-(4-pentoxyphenyl)pyrimidin-5-yl]pyrimidine Openeye Name: 5-octyl-2-[2-(4-pentoxyphenyl)pyrimidin-5-yl]pyrimidine CAS Name: 5-octyl-2-[2-(4-pentoxyphenyl)-5-pyrimidinyl]pyrimidine IUPAC Name: 5-octyl-2-[2-(4-pentoxyphenyl)pyrimidin-5-yl]pyrimidine Traditional Name: 2-(4-amoxyphenyl)-5-(5-octylpyrimidin-2-yl)pyrimidine Formula: C27H36N4O MolecularWeight: 432.60094

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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)OCCCCC

Isomeric SMILES

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

InChI

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