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

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-[4-(2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-1-[4-(o-tolyl)piperazino]ethanone Formula: C21H26ClN5OS MolecularWeight: 431.98204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C21H26ClN5OS/c1-16-6-2-3-7-17(16)25-10-12-27(13-11-25)20(28)15-29-21-23-18(22)14-19(24-21)26-8-4-5-9-26/h2-3,6-7,14H,4-5,8-13,15H2,1H3