2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C)C)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-13-5-6-17(9-14(13)2)23-20(29)12-30-21-24-18(22)10-19(25-21)26-7-8-27(16(4)28)15(3)11-26/h5-6,9-10,15H,7-8,11-12H2,1-4H3,(H,23,29)