4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Openeye Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-dimethylpropyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutan-2-yl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(1,2-dimethylpropyl)benzamide Formula: C23H32ClN5OS MolecularWeight: 462.05108

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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)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN5OS/c1-5-28-10-12-29(13-11-28)21-14-20(24)26-23(27-21)31-15-18-6-8-19(9-7-18)22(30)25-17(4)16(2)3/h6-9,14,16-17H,5,10-13,15H2,1-4H3,(H,25,30)