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

Systemtic Name: 2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C24H32ClN5O2S MolecularWeight: 490.06118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H32ClN5O2S/c1-17-15-29(10-11-30(17)22(32)13-24(2,3)4)20-12-19(25)27-23(28-20)33-16-21(31)26-14-18-8-6-5-7-9-18/h5-9,12,17H,10-11,13-16H2,1-4H3,(H,26,31)