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

Systemtic Name: 4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)benzamide Formula: C28H34ClN5OS MolecularWeight: 524.12046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC(C)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC(C)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H34ClN5OS/c1-3-33-15-17-34(18-16-33)26-19-25(29)31-28(32-26)36-20-23-11-13-24(14-12-23)27(35)30-21(2)9-10-22-7-5-4-6-8-22/h4-8,11-14,19,21H,3,9-10,15-18,20H2,1-2H3,(H,30,35)