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

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]acetamide Formula: C19H24ClN5OS MolecularWeight: 405.94476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H24ClN5OS/c1-2-24-8-10-25(11-9-24)17-12-16(20)22-19(23-17)27-14-18(26)21-13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13-14H2,1H3,(H,21,26)