3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-ethyl-benzamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=C(C(=N2)N3CCOCC3)C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=C(C(=N2)N3CCOCC3)C)C

InChI

InChI=1S/C20H26N4O2S/c1-4-21-19(25)17-7-5-6-16(12-17)13-27-20-22-15(3)14(2)18(23-20)24-8-10-26-11-9-24/h5-7,12H,4,8-11,13H2,1-3H3,(H,21,25)