2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C21H28ClN5O3S MolecularWeight: 465.99672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C21H28ClN5O3S/c1-3-4-7-20(29)27-9-8-26(13-15(27)2)18-11-17(22)24-21(25-18)31-14-19(28)23-12-16-6-5-10-30-16/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3,(H,23,28)