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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-[4-(2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-1-[4-(o-tolyl)piperazino]ethanone Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C21H28ClN5OS/c1-4-25(5-2)19-14-18(22)23-21(24-19)29-15-20(28)27-12-10-26(11-13-27)17-9-7-6-8-16(17)3/h6-9,14H,4-5,10-13,15H2,1-3H3