1-[[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C27H26N5O2S+ MolecularWeight: 484.59264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

InChI

InChI=1S/C27H25N5O2S/c28-13-16-32-23(30-26-24(27(32)34)22(18-35-26)19-7-3-1-4-8-19)17-31-14-11-20(12-15-31)25(33)29-21-9-5-2-6-10-21/h1-10,18,20H,11-12,14-17H2,(H,29,33)/p+1