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

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-(phenylazanylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-(anilinomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-(anilinomethyl)-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-(anilinomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-(anilinomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CNC4=CC=CC=C4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CNC4=CC=CC=C4)CC#N

InChI

InChI=1S/C21H16N4OS/c22-11-12-25-18(13-23-16-9-5-2-6-10-16)24-20-19(21(25)26)17(14-27-20)15-7-3-1-4-8-15/h1-10,14,23H,12-13H2