4-[[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)benzothiophen-3-yl]oxymethyl]benzonitrile CAS Name: 4-[[2-(4,6-dimethoxy-2-pyrimidinyl)-1-benzothiophen-3-yl]oxymethyl]benzonitrile IUPAC Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)-1-benzothiophen-3-yl]oxymethyl]benzonitrile Traditional Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)benzothiophen-3-yl]oxymethyl]benzonitrile Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C22H17N3O3S/c1-26-18-11-19(27-2)25-22(24-18)21-20(16-5-3-4-6-17(16)29-21)28-13-15-9-7-14(12-23)8-10-15/h3-11H,13H2,1-2H3