2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide IUPAC Name: 2-[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide Traditional Name: 2-[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]-N-homoveratryl-N-methyl-acetamide Formula: C28H34ClN5O3S MolecularWeight: 556.11926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N(C)CCC4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N(C)CCC4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C28H34ClN5O3S/c1-20-7-5-6-8-22(20)33-13-15-34(16-14-33)26-18-25(29)30-28(31-26)38-19-27(35)32(2)12-11-21-9-10-23(36-3)24(17-21)37-4/h5-10,17-18H,11-16,19H2,1-4H3