N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H18ClFN4O3S MolecularWeight: 448.898323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C20H18ClFN4O3S/c1-2-29-12-8-6-11(7-9-12)18(27)24-16-17(23)25-20(26-19(16)28)30-10-13-14(21)4-3-5-15(13)22/h3-9H,2,10H2,1H3,(H,24,27)(H3,23,25,26,28)