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

Systemtic Name: N-butan-2-yl-3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-sec-butyl-benzamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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