3-ethoxy-4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde

Systemtic Name: 3-ethoxy-4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde Openeye Name: 3-ethoxy-4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde CAS Name: 3-ethoxy-4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]oxy]benzaldehyde IUPAC Name: 3-ethoxy-4-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)oxybenzaldehyde Traditional Name: 3-ethoxy-4-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]oxy-benzaldehyde Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C20H18N2O3S/c1-3-24-18-11-14(13-23)9-10-17(18)25-19-12-16(21-20(22-19)26-2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3