4-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 4-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 4-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 4-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 4-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]thieno[2,3-d]pyrimidine Formula: C21H15BrN2O2S2 MolecularWeight: 471.39

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC=NC5=C4C=CS5)Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC=NC5=C4C=CS5)Br

InChI

InChI=1S/C21H15BrN2O2S2/c22-16-8-14-10-25-21(13-4-2-1-3-5-13)26-18(14)15(9-16)11-28-20-17-6-7-27-19(17)23-12-24-20/h1-9,12,21H,10-11H2