N-butyl-4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-4-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-4-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H31ClN4OS MolecularWeight: 447.03644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

InChI

InChI=1S/C23H31ClN4OS/c1-3-4-14-25-22(29)18-12-10-17(11-13-18)16-30-23-26-20(24)15-21(27-23)28(2)19-8-6-5-7-9-19/h10-13,15,19H,3-9,14,16H2,1-2H3,(H,25,29)