2-(3-bromanyl-4-butoxy-phenyl)-5-(4-pentylcyclohexyl)pyrimidine

Systemtic Name: 2-(3-bromanyl-4-butoxy-phenyl)-5-(4-pentylcyclohexyl)pyrimidine Openeye Name: 2-(3-bromo-4-butoxy-phenyl)-5-(4-pentylcyclohexyl)pyrimidine CAS Name: 2-(3-bromo-4-butoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine IUPAC Name: 2-(3-bromo-4-butoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine Traditional Name: 5-(4-amylcyclohexyl)-2-(3-bromo-4-butoxy-phenyl)pyrimidine Formula: C25H35BrN2O MolecularWeight: 459.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35BrN2O/c1-3-5-7-8-19-9-11-20(12-10-19)22-17-27-25(28-18-22)21-13-14-24(23(26)16-21)29-15-6-4-2/h13-14,16-20H,3-12,15H2,1-2H3