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

Systemtic Name: 3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-(2,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C21H16N4S/c1-13-6-7-17(14(2)8-13)18-11-26-21-19(18)20(23-12-24-21)25-16-5-3-4-15(9-16)10-22/h3-9,11-12H,1-2H3,(H,23,24,25)