[6-(4-benzamidophenyl)-1-[[2,6-bis(fluoranyl)phenyl]methyl]-2,4-bis(oxidanylidene)-3-phenyl-thieno[2,3-d]pyrimidin-5-yl]methyl-methyl-(phenylmethyl)azanium chloride

Systemtic Name: [6-(4-benzamidophenyl)-1-[[2,6-bis(fluoranyl)phenyl]methyl]-2,4-bis(oxidanylidene)-3-phenyl-thieno[2,3-d]pyrimidin-5-yl]methyl-methyl-(phenylmethyl)azanium chloride Openeye Name: [6-(4-benzamidophenyl)-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-thieno[2,3-d]pyrimidin-5-yl]methyl-benzyl-methyl-ammonium chloride CAS Name: [6-(4-benzamidophenyl)-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-5-thieno[2,3-d]pyrimidinyl]methyl-methyl-(phenylmethyl)ammonium chloride IUPAC Name: [6-(4-benzamidophenyl)-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-5-yl]methyl-benzyl-methylazanium chloride Traditional Name: [6-(4-benzamidophenyl)-1-(2,6-difluorobenzyl)-2,4-diketo-3-phenyl-thieno[2,3-d]pyrimidin-5-yl]methyl-benzyl-methyl-ammonium chloride Formula: C41H33ClF2N4O3S MolecularWeight: 735.240526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)C7=CC=CC=C7.[Cl-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)C7=CC=CC=C7.[Cl-]

InChI

InChI=1S/C41H32F2N4O3S.ClH/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29;/h2-23H,24-26H2,1H3,(H,44,48);1H