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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C21H34ClN5O2S MolecularWeight: 456.04496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN5O2S/c1-14(2)6-7-23-19(28)13-30-21-24-17(22)11-18(25-21)26-8-9-27(16(5)12-26)20(29)10-15(3)4/h11,14-16H,6-10,12-13H2,1-5H3,(H,23,28)