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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H26ClN5OS/c22-18-14-19(26-8-4-5-9-26)24-21(23-18)29-16-20(28)27-12-10-25(11-13-27)15-17-6-2-1-3-7-17/h1-3,6-7,14H,4-5,8-13,15-16H2