2-(3-bromanyl-4-butoxy-phenyl)-5-[1-(4-pentylcyclohexyl)ethyl]pyrimidine

Systemtic Name: 2-(3-bromanyl-4-butoxy-phenyl)-5-[1-(4-pentylcyclohexyl)ethyl]pyrimidine Openeye Name: 2-(3-bromo-4-butoxy-phenyl)-5-[1-(4-pentylcyclohexyl)ethyl]pyrimidine CAS Name: 2-(3-bromo-4-butoxyphenyl)-5-[1-(4-pentylcyclohexyl)ethyl]pyrimidine IUPAC Name: 2-(3-bromo-4-butoxyphenyl)-5-[1-(4-pentylcyclohexyl)ethyl]pyrimidine Traditional Name: 5-[1-(4-amylcyclohexyl)ethyl]-2-(3-bromo-4-butoxy-phenyl)pyrimidine Formula: C27H39BrN2O MolecularWeight: 487.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCCC)Br

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCCC)Br

InChI

InChI=1S/C27H39BrN2O/c1-4-6-8-9-21-10-12-22(13-11-21)20(3)24-18-29-27(30-19-24)23-14-15-26(25(28)17-23)31-16-7-5-2/h14-15,17-22H,4-13,16H2,1-3H3