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

Systemtic Name: 2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C20H30ClN5O2S MolecularWeight: 440.0025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

InChI

InChI=1S/C20H30ClN5O2S/c1-13-11-25(7-8-26(13)18(28)10-20(2,3)4)16-9-15(21)23-19(24-16)29-12-17(27)22-14-5-6-14/h9,13-14H,5-8,10-12H2,1-4H3,(H,22,27)