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

Systemtic Name: 3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O2S/c1-13(2)21-18(25)15-5-3-4-14(10-15)12-27-19-22-16(20)11-17(23-19)24-6-8-26-9-7-24/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,21,25)