2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H20ClN5OS2 MolecularWeight: 470.0101

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC=C2SCC#N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC=C2SCC#N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN5OS2/c1-2-16-20(14-7-9-15(23)10-8-14)21(25)28-22(27-16)31-13-19(29)26-17-5-3-4-6-18(17)30-12-11-24/h3-10H,2,12-13H2,1H3,(H,26,29)(H2,25,27,28)