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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C20H32ClN5O2S MolecularWeight: 442.01838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN5O2S/c1-6-24(7-2)19(28)13-29-20-22-16(21)11-17(23-20)25-8-9-26(15(5)12-25)18(27)10-14(3)4/h11,14-15H,6-10,12-13H2,1-5H3