4-chloranyl-N-[3-cyclohexyl-2-[(6-imidazol-1-yl-2-methylperoxysulfanyl-pyrimidin-4-yl)amino]propyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-cyclohexyl-2-[(6-imidazol-1-yl-2-methylperoxysulfanyl-pyrimidin-4-yl)amino]propyl]benzamide Openeye Name: 4-chloro-N-[3-cyclohexyl-2-[(6-imidazol-1-yl-2-methylperoxysulfanyl-pyrimidin-4-yl)amino]propyl]benzamide CAS Name: 4-[[1-[[(4-chlorophenyl)-oxomethyl]amino]-3-cyclohexylpropan-2-yl]amino]-6-(1-imidazolyl)-2-pyrimidinesulfenic acid methoxy ester IUPAC Name: 4-chloro-N-[3-cyclohexyl-2-[(6-imidazol-1-yl-2-methylperoxysulfanylpyrimidin-4-yl)amino]propyl]benzamide Traditional Name: 4-chloro-N-[3-cyclohexyl-2-[[6-imidazol-1-yl-2-(methylperoxythio)pyrimidin-4-yl]amino]propyl]benzamide Formula: C24H29ClN6O3S MolecularWeight: 517.04346

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Descriptors Computed from Structure

Canonical SMILES:

COOSC1=NC(=CC(=N1)NC(CC2CCCCC2)CNC(=O)C3=CC=C(C=C3)Cl)N4C=CN=C4

Isomeric SMILES

COOSC1=NC(=CC(=N1)NC(CC2CCCCC2)CNC(=O)C3=CC=C(C=C3)Cl)N4C=CN=C4

InChI

InChI=1S/C24H29ClN6O3S/c1-33-34-35-24-29-21(14-22(30-24)31-12-11-26-16-31)28-20(13-17-5-3-2-4-6-17)15-27-23(32)18-7-9-19(25)10-8-18/h7-12,14,16-17,20H,2-6,13,15H2,1H3,(H,27,32)(H,28,29,30)