3-[4-azanyl-6-(2-pyridin-2-ylethynyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-(2-pyridin-2-ylethynyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[2-(2-pyridyl)ethynyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[2-(2-pyridinyl)ethynyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-(2-pyridin-2-ylethynyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[2-(2-pyridyl)ethynyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C20H11N5S MolecularWeight: 353.39984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C20H11N5S/c21-12-13-4-3-5-14(10-13)19-24-18(22)17-11-16(26-20(17)25-19)8-7-15-6-1-2-9-23-15/h1-6,9-11H,(H2,22,24,25)