2-[4-[6-(4-bromophenyl)sulfanyl-2-(4-propylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(4-bromophenyl)sulfanyl-2-(4-propylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-bromophenyl)sulfanyl-2-(4-propylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(4-bromophenyl)thio]-2-(4-propylphenyl)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-bromophenyl)sulfanyl-2-(4-propylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(4-bromophenyl)thio]-2-(4-propylphenyl)pyrimidin-4-yl]piperazino]ethanol Formula: C25H29BrN4OS MolecularWeight: 513.49296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Br)N4CCN(CC4)CCO

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Br)N4CCN(CC4)CCO

InChI

InChI=1S/C25H29BrN4OS/c1-2-3-19-4-6-20(7-5-19)25-27-23(30-14-12-29(13-15-30)16-17-31)18-24(28-25)32-22-10-8-21(26)9-11-22/h4-11,18,31H,2-3,12-17H2,1H3