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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]acetamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-3-20(29)27-10-9-26(13-15(27)2)18-11-17(22)24-21(25-18)30-14-19(28)23-12-16-7-5-4-6-8-16/h4-8,11,15H,3,9-10,12-14H2,1-2H3,(H,23,28)