2-[4-oxidanylidene-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-5-phenyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-5-phenyl-2-(1-piperidinylmethyl)-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-5-phenyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C20H20N4OS/c21-9-12-24-17(13-23-10-5-2-6-11-23)22-19-18(20(24)25)16(14-26-19)15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,10-13H2