2-(2-bromanyl-4-pentyl-phenyl)-5-phenyl-pyrimidine; pentylbenzene

Systemtic Name: 2-(2-bromanyl-4-pentyl-phenyl)-5-phenyl-pyrimidine; pentylbenzene Openeye Name: 2-(2-bromo-4-pentyl-phenyl)-5-phenyl-pyrimidine; pentylbenzene CAS Name: 2-(2-bromo-4-pentylphenyl)-5-phenylpyrimidine; pentylbenzene IUPAC Name: 2-(2-bromo-4-pentylphenyl)-5-phenylpyrimidine; pentylbenzene Traditional Name: amylbenzene; 2-(4-amyl-2-bromo-phenyl)-5-phenyl-pyrimidine Formula: C32H37BrN2 MolecularWeight: 529.55358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1.CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCC1=CC=CC=C1.CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H21BrN2.C11H16/c1-2-3-5-8-16-11-12-19(20(22)13-16)21-23-14-18(15-24-21)17-9-6-4-7-10-17;1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-15H,2-3,5,8H2,1H3;4,6-7,9-10H,2-3,5,8H2,1H3