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

Systemtic Name: 5-(4-chlorophenyl)-2-(isoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-(isoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-(2-isoquinolin-2-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-(isoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-(isoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H15ClN3OS+ MolecularWeight: 404.892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClN3OS/c23-17-7-5-15(6-8-17)18-13-28-22-20(18)21(27)24-19(25-22)12-26-10-9-14-3-1-2-4-16(14)11-26/h1-11,13H,12H2/p+1