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

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C17H19ClN4OS MolecularWeight: 362.87696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)Cl

InChI

InChI=1S/C17H19ClN4OS/c1-22(2)15-9-14(18)20-17(21-15)24-10-11-4-3-5-12(8-11)16(23)19-13-6-7-13/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,19,23)