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

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methoxyphenyl)-6-(4-methoxyphenyl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-5-yl]methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[[1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6-(4-methoxyphenyl)-2,4-dioxo-thieno[2,3-d]pyrimidin-5-yl]methyl]ammonium chloride CAS Name: [1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6-(4-methoxyphenyl)-2,4-dioxo-5-thieno[2,3-d]pyrimidinyl]methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[[1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-5-yl]methyl]azanium chloride Traditional Name: benzyl-[[1-(2,6-difluorobenzyl)-2,4-diketo-3-(3-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl]ammonium chloride Formula: C35H30ClF2N3O4S MolecularWeight: 662.145206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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[NH2+]CC6=CC=CC=C6.[Cl-]

Isomeric SMILES

COC1=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[NH2+]CC6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C35H29F2N3O4S.ClH/c1-43-25-16-14-23(15-17-25)32-27(20-38-19-22-8-4-3-5-9-22)31-33(41)40(24-10-6-11-26(18-24)44-2)35(42)39(34(31)45-32)21-28-29(36)12-7-13-30(28)37;/h3-18,38H,19-21H2,1-2H3;1H