3-bromanyl-5-methoxy-4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde Openeye Name: 3-bromo-5-methoxy-4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde CAS Name: 3-bromo-5-methoxy-4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]oxy]benzaldehyde IUPAC Name: 3-bromo-5-methoxy-4-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)oxybenzaldehyde Traditional Name: 3-bromo-5-methoxy-4-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]oxy-benzaldehyde Formula: C19H15BrN2O3S MolecularWeight: 431.303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)Br)OC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)Br)OC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C19H15BrN2O3S/c1-24-16-9-12(11-23)8-14(20)18(16)25-17-10-15(21-19(22-17)26-2)13-6-4-3-5-7-13/h3-11H,1-2H3