1-iodanyl-3-pentyl-benzene; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine

Systemtic Name: 1-iodanyl-3-pentyl-benzene; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine Openeye Name: 1-iodo-3-pentyl-benzene; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine CAS Name: 1-iodo-3-pentylbenzene; 5-(4-pentylcyclohexyl)-2-phenylpyrimidine IUPAC Name: 1-iodo-3-pentylbenzene; 5-(4-pentylcyclohexyl)-2-phenylpyrimidine Traditional Name: 5-(4-amylcyclohexyl)-2-phenyl-pyrimidine; 1-amyl-3-iodo-benzene Formula: C32H43IN2 MolecularWeight: 582.60169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC(=CC=C1)I

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC(=CC=C1)I

InChI

InChI=1S/C21H28N2.C11H15I/c1-2-3-5-8-17-11-13-18(14-12-17)20-15-22-21(23-16-20)19-9-6-4-7-10-19;1-2-3-4-6-10-7-5-8-11(12)9-10/h4,6-7,9-10,15-18H,2-3,5,8,11-14H2,1H3;5,7-9H,2-4,6H2,1H3