N-butyl-3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)C

InChI

InChI=1S/C18H23ClN4OS/c1-4-5-9-20-17(24)14-8-6-7-13(10-14)12-25-18-21-15(19)11-16(22-18)23(2)3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,20,24)