1-bromanyl-3-pentyl-benzene; 5-pentyl-2-phenyl-pyrimidine

Systemtic Name: 1-bromanyl-3-pentyl-benzene; 5-pentyl-2-phenyl-pyrimidine Openeye Name: 1-bromo-3-pentyl-benzene; 5-pentyl-2-phenyl-pyrimidine CAS Name: 1-bromo-3-pentylbenzene; 5-pentyl-2-phenylpyrimidine IUPAC Name: 1-bromo-3-pentylbenzene; 5-pentyl-2-phenylpyrimidine Traditional Name: 1-amyl-3-bromo-benzene; 5-amyl-2-phenyl-pyrimidine Formula: C26H33BrN2 MolecularWeight: 453.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)Br.CCCCCC1=CN=C(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC(=CC=C1)Br.CCCCCC1=CN=C(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2.C11H15Br/c1-2-3-5-8-13-11-16-15(17-12-13)14-9-6-4-7-10-14;1-2-3-4-6-10-7-5-8-11(12)9-10/h4,6-7,9-12H,2-3,5,8H2,1H3;5,7-9H,2-4,6H2,1H3