N-[2-[[2-(4-chlorophenyl)-6-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(methylthio)benzoyl]piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H29ClN6O2S MolecularWeight: 525.06546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN6O2S/c1-18(34)28-11-12-29-23-17-24(31-25(30-23)19-7-9-20(27)10-8-19)32-13-15-33(16-14-32)26(35)21-5-3-4-6-22(21)36-2/h3-10,17H,11-16H2,1-2H3,(H,28,34)(H,29,30,31)