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

Systemtic Name: 5-chloranyl-N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)N3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)N3CCCC3=O

InChI

InChI=1S/C17H17ClN4O3S/c1-25-13-6-5-10(8-12(13)22-7-3-4-14(22)23)20-16(24)15-11(18)9-19-17(21-15)26-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,20,24)