3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N3CCOCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N3CCOCC3

InChI

InChI=1S/C21H28N4O2S/c1-4-18-13-19(25-8-10-27-11-9-25)24-21(23-18)28-14-16-6-5-7-17(12-16)20(26)22-15(2)3/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,22,26)