5-(4-heptylcyclohexyl)-2-(4-hexoxyphenyl)pyrimidine

Systemtic Name: 5-(4-heptylcyclohexyl)-2-(4-hexoxyphenyl)pyrimidine Openeye Name: 5-(4-heptylcyclohexyl)-2-(4-hexoxyphenyl)pyrimidine CAS Name: 5-(4-heptylcyclohexyl)-2-(4-hexoxyphenyl)pyrimidine IUPAC Name: 5-(4-heptylcyclohexyl)-2-(4-hexoxyphenyl)pyrimidine Traditional Name: 5-(4-heptylcyclohexyl)-2-(4-hexoxyphenyl)pyrimidine Formula: C29H44N2O MolecularWeight: 436.67246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C29H44N2O/c1-3-5-7-9-10-12-24-13-15-25(16-14-24)27-22-30-29(31-23-27)26-17-19-28(20-18-26)32-21-11-8-6-4-2/h17-20,22-25H,3-16,21H2,1-2H3