2-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 2-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 2-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C20H13N3OS MolecularWeight: 343.40172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C20H13N3OS/c21-10-15-8-4-5-9-16(15)11-23-13-22-19-18(20(23)24)17(12-25-19)14-6-2-1-3-7-14/h1-9,12-13H,11H2