2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H32ClN5OS/c1-2-31-15-17-32(18-16-31)25-19-24(28)29-27(30-25)35-21-26(34)33(20-23-11-7-4-8-12-23)14-13-22-9-5-3-6-10-22/h3-12,19H,2,13-18,20-21H2,1H3