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

Systemtic Name: 4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-isobutyl-benzamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2S/c1-14(2)12-22-19(26)16-5-3-15(4-6-16)13-28-20-23-17(21)11-18(24-20)25-7-9-27-10-8-25/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,22,26)