5-chloranyl-N-(3-chloranyl-2-morpholin-4-yl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-chloranyl-2-morpholin-4-yl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3-chloro-2-morpholino-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-chloro-2-(4-morpholinyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-chloro-2-morpholino-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H16Cl2N4O2S MolecularWeight: 399.29484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)Cl

InChI

InChI=1S/C16H16Cl2N4O2S/c1-25-16-19-9-11(18)13(21-16)15(23)20-12-4-2-3-10(17)14(12)22-5-7-24-8-6-22/h2-4,9H,5-8H2,1H3,(H,20,23)