2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5OS/c1-15-5-3-6-17-16(2)13-18(24-20(15)17)28-14-19(27)25-9-11-26(12-10-25)21-22-7-4-8-23-21/h3-8,13H,9-12,14H2,1-2H3