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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1,2-diphenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(1,2-diphenylethyl)acetamide Formula: C30H36ClN5O2S MolecularWeight: 566.15714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H36ClN5O2S/c1-3-4-15-29(38)36-17-16-35(20-22(36)2)27-19-26(31)33-30(34-27)39-21-28(37)32-25(24-13-9-6-10-14-24)18-23-11-7-5-8-12-23/h5-14,19,22,25H,3-4,15-18,20-21H2,1-2H3,(H,32,37)