N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C20H18ClFN4O4S MolecularWeight: 464.897723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N)OC

InChI

InChI=1S/C20H18ClFN4O4S/c1-29-14-7-6-10(8-15(14)30-2)18(27)24-16-17(23)25-20(26-19(16)28)31-9-11-12(21)4-3-5-13(11)22/h3-8H,9H2,1-2H3,(H,24,27)(H3,23,25,26,28)