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

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methoxyphenyl)-6-[4-[methyl(propanoyl)amino]phenyl]-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-5-yl]methyl-methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[[1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6-[4-[methyl(propanoyl)amino]phenyl]-2,4-dioxo-thieno[2,3-d]pyrimidin-5-yl]methyl]-methyl-ammonium chloride CAS Name: [1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6-[4-[methyl(1-oxopropyl)amino]phenyl]-2,4-dioxo-5-thieno[2,3-d]pyrimidinyl]methyl-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[[1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6-[4-[methyl(propanoyl)amino]phenyl]-2,4-dioxothieno[2,3-d]pyrimidin-5-yl]methyl]-methylazanium chloride Traditional Name: benzyl-[[1-(2,6-difluorobenzyl)-2,4-diketo-3-(3-methoxyphenyl)-6-[4-[methyl(propionyl)amino]phenyl]thieno[2,3-d]pyrimidin-5-yl]methyl]-methyl-ammonium chloride Formula: C39H37ClF2N4O4S MolecularWeight: 731.250286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C1=CC=C(C=C1)C2=C(C3=C(S2)N(C(=O)N(C3=O)C4=CC(=CC=C4)OC)CC5=C(C=CC=C5F)F)C[NH+](C)CC6=CC=CC=C6.[Cl-]

Isomeric SMILES

CCC(=O)N(C)C1=CC=C(C=C1)C2=C(C3=C(S2)N(C(=O)N(C3=O)C4=CC(=CC=C4)OC)CC5=C(C=CC=C5F)F)C[NH+](C)CC6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C39H36F2N4O4S.ClH/c1-5-34(46)43(3)27-19-17-26(18-20-27)36-31(23-42(2)22-25-11-7-6-8-12-25)35-37(47)45(28-13-9-14-29(21-28)49-4)39(48)44(38(35)50-36)24-30-32(40)15-10-16-33(30)41;/h6-21H,5,22-24H2,1-4H3;1H