4-[5-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[5-(3,4-dimethoxyphenyl)-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 4-[5-(3,4-dimethoxyphenyl)-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C26H18N4O3S MolecularWeight: 466.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)OC4=CC=C(C=C4)C#N)C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)OC4=CC=C(C=C4)C#N)C5=CN=CC=C5)OC

InChI

InChI=1S/C26H18N4O3S/c1-31-21-10-7-17(12-22(21)32-2)20-15-34-26-23(20)25(33-19-8-5-16(13-27)6-9-19)29-24(30-26)18-4-3-11-28-14-18/h3-12,14-15H,1-2H3