2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N6OS/c1-16-14-18(17-6-3-2-4-7-17)25-21(24-16)29-15-19(28)26-10-12-27(13-11-26)20-22-8-5-9-23-20/h2-9,14H,10-13,15H2,1H3