5-(2-chlorophenyl)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-chlorophenyl)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(2-chlorophenyl)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H14ClN4OS+ MolecularWeight: 357.83726

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C[N+]1=C(NC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C17H13ClN4OS/c1-21-7-6-19-14(21)8-22-10-20-16-15(17(22)23)12(9-24-16)11-4-2-3-5-13(11)18/h2-7,9-10H,8H2,1H3/p+1