N-(3-chloranyl-2-morpholin-4-yl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-morpholin-4-yl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-morpholino-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-2-(4-morpholinyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-morpholino-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)C

InChI

InChI=1S/C18H21ClN4O2S/c1-12-10-13(2)21-18(20-12)26-11-16(24)22-15-5-3-4-14(19)17(15)23-6-8-25-9-7-23/h3-5,10H,6-9,11H2,1-2H3,(H,22,24)