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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN5O2S/c1-13(2)8-19(28)26-7-6-25(11-15(26)5)17-9-16(21)23-20(24-17)29-12-18(27)22-10-14(3)4/h9,13-15H,6-8,10-12H2,1-5H3,(H,22,27)