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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2S/c1-2-3-8-22-19(26)16-6-4-15(5-7-16)14-28-20-23-17(21)13-18(24-20)25-9-11-27-12-10-25/h4-7,13H,2-3,8-12,14H2,1H3,(H,22,26)