2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-diphenyl-2-pyrimidinyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4,5-diphenylpyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-diphenylpyrimidin-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4OS/c33-26(32-18-16-31(17-19-32)24-14-8-3-9-15-24)21-34-28-29-20-25(22-10-4-1-5-11-22)27(30-28)23-12-6-2-7-13-23/h1-15,20H,16-19,21H2