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

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-dimethylpropyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutan-2-yl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutan-2-yl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(1,2-dimethylpropyl)benzamide Formula: C22H30ClN5OS MolecularWeight: 448.0245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C

Isomeric SMILES

CC(C)C(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C22H30ClN5OS/c1-15(2)16(3)24-21(29)18-7-5-17(6-8-18)14-30-22-25-19(23)13-20(26-22)28-11-9-27(4)10-12-28/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,24,29)