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

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C21H34ClN5O2S MolecularWeight: 456.04496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CC(C)(C)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H34ClN5O2S/c1-7-14(2)23-18(28)13-30-20-24-16(22)10-17(25-20)26-8-9-27(15(3)12-26)19(29)11-21(4,5)6/h10,14-15H,7-9,11-13H2,1-6H3,(H,23,28)