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

Systemtic Name: 5-(4-heptylcyclohexyl)-2-(4-pentoxyphenyl)pyrimidine Openeye Name: 5-(4-heptylcyclohexyl)-2-(4-pentoxyphenyl)pyrimidine CAS Name: 5-(4-heptylcyclohexyl)-2-(4-pentoxyphenyl)pyrimidine IUPAC Name: 5-(4-heptylcyclohexyl)-2-(4-pentoxyphenyl)pyrimidine Traditional Name: 2-(4-amoxyphenyl)-5-(4-heptylcyclohexyl)pyrimidine Formula: C28H42N2O MolecularWeight: 422.64588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O/c1-3-5-7-8-9-11-23-12-14-24(15-13-23)26-21-29-28(30-22-26)25-16-18-27(19-17-25)31-20-10-6-4-2/h16-19,21-24H,3-15,20H2,1-2H3