5-phenyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H26N4OS+2 MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C24H24N4OS/c29-23-22-20(19-9-5-2-6-10-19)17-30-24(22)26-21(25-23)16-28-13-11-27(12-14-28)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,25,26,29)/p+2