4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N(C)C

InChI

InChI=1S/C22H25N5OS/c1-4-19-13-20(27(2)3)26-22(25-19)29-15-17-5-7-18(8-6-17)21(28)24-14-16-9-11-23-12-10-16/h5-13H,4,14-15H2,1-3H3,(H,24,28)