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

Systemtic Name: 3-[(4-tert-butyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 3-[(4-tert-butyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 3-[(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 3-[[(4-tert-butyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2S/c1-6-26(5)21(28)18-9-7-8-17(14-18)16-30-22-24-19(23(2,3)4)15-20(25-22)27-10-12-29-13-11-27/h7-9,14-15H,6,10-13,16H2,1-5H3