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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4OS/c1-4-7-12-24-21(28)18-10-8-17(9-11-18)16-29-22-25-19(23)15-20(26-22)27(13-5-2)14-6-3/h8-11,15H,4-7,12-14,16H2,1-3H3,(H,24,28)