2-(2-iodanyl-4-pentyl-phenyl)-5-phenyl-pyrimidine

Systemtic Name: 2-(2-iodanyl-4-pentyl-phenyl)-5-phenyl-pyrimidine Openeye Name: 2-(2-iodo-4-pentyl-phenyl)-5-phenyl-pyrimidine CAS Name: 2-(2-iodo-4-pentylphenyl)-5-phenylpyrimidine IUPAC Name: 2-(2-iodo-4-pentylphenyl)-5-phenylpyrimidine Traditional Name: 2-(4-amyl-2-iodo-phenyl)-5-phenyl-pyrimidine Formula: C21H21IN2 MolecularWeight: 428.30931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)I

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)I

InChI

InChI=1S/C21H21IN2/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/h4,6-7,9-15H,2-3,5,8H2,1H3