2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1,2-diphenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-(1,2-diphenylethyl)acetamide Formula: C27H30ClN5O2S MolecularWeight: 524.0774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H30ClN5O2S/c1-2-26(35)33-15-13-32(14-16-33)24-18-23(28)30-27(31-24)36-19-25(34)29-22(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,18,22H,2,13-17,19H2,1H3,(H,29,34)