2-(4-phenylphthalazin-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H22N6OS/c31-21(29-13-15-30(16-14-29)24-25-11-6-12-26-24)17-32-23-20-10-5-4-9-19(20)22(27-28-23)18-7-2-1-3-8-18/h1-12H,13-17H2