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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-ketopyrrolidino)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S/c1-24-16-18-9-12(17)14(20-16)15(23)19-10-4-2-5-11(8-10)21-7-3-6-13(21)22/h2,4-5,8-9H,3,6-7H2,1H3,(H,19,23)