2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]ethanone Formula: C20H23Cl2N5OS MolecularWeight: 452.40052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C20H23Cl2N5OS/c21-15-5-1-2-6-16(15)25-9-11-27(12-10-25)19(28)14-29-20-23-17(22)13-18(24-20)26-7-3-4-8-26/h1-2,5-6,13H,3-4,7-12,14H2