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

Systemtic Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C21H16N4O2S/c1-26-17-7-6-14(9-18(17)27-2)16-11-28-21-19(16)20(23-12-24-21)25-15-5-3-4-13(8-15)10-22/h3-9,11-12H,1-2H3,(H,23,24,25)