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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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