2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(4-phenylphthalazin-1-yl)piperazino]ethanone Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C26H26N6OS/c1-18-16-19(2)28-26(27-18)34-17-23(33)31-12-14-32(15-13-31)25-22-11-7-6-10-21(22)24(29-30-25)20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3