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

Systemtic Name: 3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C22H31ClN4OS MolecularWeight: 435.02574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4OS/c1-4-7-8-9-13-24-21(28)18-12-10-11-17(14-18)16-29-22-25-19(23)15-20(26-22)27(5-2)6-3/h10-12,14-15H,4-9,13,16H2,1-3H3,(H,24,28)