2-(isoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(isoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(isoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(isoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H14N3OS2+ MolecularWeight: 376.47466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C20H13N3OS2/c24-19-18-15(16-6-3-9-25-16)12-26-20(18)22-17(21-19)11-23-8-7-13-4-1-2-5-14(13)10-23/h1-10,12H,11H2/p+1