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

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-isopentyl-benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-isoamyl-benzamide Formula: C19H25ClN4OS MolecularWeight: 392.946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4OS/c1-13(2)8-9-21-18(25)15-7-5-6-14(10-15)12-26-19-22-16(20)11-17(23-19)24(3)4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,21,25)