5-chloranyl-N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-chloro-4-(2-oxo-1-pyrrolidinyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-chloro-4-(2-ketopyrrolidino)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H14Cl2N4O2S MolecularWeight: 397.27896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC(=C(C=C2)N3CCCC3=O)Cl)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC(=C(C=C2)N3CCCC3=O)Cl)Cl

InChI

InChI=1S/C16H14Cl2N4O2S/c1-25-16-19-8-11(18)14(21-16)15(24)20-9-4-5-12(10(17)7-9)22-6-2-3-13(22)23/h4-5,7-8H,2-3,6H2,1H3,(H,20,24)