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

Systemtic Name: 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-ethenyl-1-benzimidazol-1-iumyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N4OS+ MolecularWeight: 385.46158

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C=[N+](C2=CC=CC=C21)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C=CN1C=[N+](C2=CC=CC=C21)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H16N4OS/c1-2-25-14-26(18-11-7-6-10-17(18)25)12-19-23-21(27)20-16(13-28-22(20)24-19)15-8-4-3-5-9-15/h2-11,13-14H,1,12H2/p+1