1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O2S/c27-18(24-10-12-26(13-11-24)20-21-6-3-7-22-20)15-29-17-5-4-16(14-23-17)19(28)25-8-1-2-9-25/h3-7,14H,1-2,8-13,15H2