3-bromanyl-N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide Openeye Name: 3-bromo-N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide CAS Name: 3-bromo-N-[2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 3-bromo-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide Traditional Name: 3-bromo-N-[2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]benzamide Formula: C20H12BrClFN3O2S2 MolecularWeight: 524.813583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H12BrClFN3O2S2/c21-12-4-1-3-11(9-12)18(27)25-26-19(28)17-16(7-8-29-17)24-20(26)30-10-13-14(22)5-2-6-15(13)23/h1-9H,10H2,(H,25,27)