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

Systemtic Name: 4-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]thieno[2,3-d]pyrimidine Openeye Name: 4-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]thieno[2,3-d]pyrimidine CAS Name: 4-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]thieno[2,3-d]pyrimidine IUPAC Name: 4-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]thieno[2,3-d]pyrimidine Traditional Name: 4-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]thieno[2,3-d]pyrimidine Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC4=C5C=CSC5=NC=N4)Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC4=C5C=CSC5=NC=N4)Br

InChI

InChI=1S/C21H15BrN2O3S/c22-16-8-14(10-25-19-17-6-7-28-20(17)24-12-23-19)18-15(9-16)11-26-21(27-18)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2/t21-/m0/s1