4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-ethoxy-benzamide Formula: C20H26ClN5O2S MolecularWeight: 435.97074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NOCC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NOCC)Cl

InChI

InChI=1S/C20H26ClN5O2S/c1-3-25-9-11-26(12-10-25)18-13-17(21)22-20(23-18)29-14-15-5-7-16(8-6-15)19(27)24-28-4-2/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,24,27)