1-[4-[2-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-6-ethyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-6-ethyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-6-ethyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-6-ethyl-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]-6-ethyl-pyrimidin-4-yl]piperazino]ethanone Formula: C26H34N6O3S MolecularWeight: 510.65156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C26H34N6O3S/c1-4-23-17-24(31-12-8-29(9-13-31)19(2)33)28-26(27-23)36-18-21-6-5-7-22(16-21)25(35)32-14-10-30(11-15-32)20(3)34/h5-7,16-17H,4,8-15,18H2,1-3H3