3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H16N4OS/c1-2-26-17-8-6-15(7-9-17)18-12-27-21-19(18)20(23-13-24-21)25-16-5-3-4-14(10-16)11-22/h3-10,12-13H,2H2,1H3,(H,23,24,25)