2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(7-methoxy-4-phenyl-2-quinolyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2S/c1-33-20-8-9-21-22(19-6-3-2-4-7-19)17-24(29-23(21)16-20)34-18-25(32)30-12-14-31(15-13-30)26-27-10-5-11-28-26/h2-11,16-17H,12-15,18H2,1H3