N-butyl-3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CC)CC

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(CC)CC

InChI

InChI=1S/C20H27ClN4OS/c1-4-7-11-22-19(26)16-10-8-9-15(12-16)14-27-20-23-17(21)13-18(24-20)25(5-2)6-3/h8-10,12-13H,4-7,11,14H2,1-3H3,(H,22,26)