About [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid
[bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid (PubChem CID 159336142) has the molecular formula C165H190Br3F4N19O37S7Sn
and a molecular weight of 3691.32 g/mol. Its IUPAC name is [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid.
Frequently Asked Questions
What is the IUPAC name of [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid?
The IUPAC name of [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid (CID 159336142) is [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid.
What is the SMILES notation for [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid?
The canonical SMILES for [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid is BrC(c1ccccc1)c1ccccc1.C.C.C.CCCC[Sn](CCCC)(CCCC)c1ncco1.COc1ccccc1[C@H](CO)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(CC(N)=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.Cc1c(-c2ncco2)sc2[nH]c(=O)n(CC(=O)O)c(=O)c12.Cc1c(-c2ncco2)sc2[nH]c(=O)n(CC(N)=O)c(=O)c12.Cc1c(-c2ncco2)sc2c1c(=O)n(CC(=O)OC(C)(C)C)c(=O)n2C(c1ccccc1)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(CC(=O)OC(C)(C)C)c(=O)c12.Cc1c(Br)sc2c1c(=O)n(CC(=O)OC(C)(C)C)c(=O)n2C(c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F.[2H]CF.
What is the InChIKey of [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid?
The InChIKey is LFODYOYIFZQXRK-FRQJUDPQSA-N. The full InChI is InChI=1S/C29H27N3O5S.C26H25BrN2O4S.C26H28N4O7S.C14H20O4.C13H15BrN2O4S.C13H11Br.C12H10N4O4S.C12H9N3O5S.3C4H9.C3H2NO.CHF3O3S.CH3F.3CH4.Sn/c1-18-22-26(34)31(17-21(33)37-29(2,3)4)28(35)32(27(22)38-24(18)25-30-15-16-36-25)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-16-20-23(31)28(15-19(30)33-26(2,3)4)25(32)29(24(20)34-22(16)27)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18;1-15-21-24(32)29(14-20(27)31)26(33)30(25(21)38-22(15)23-28-9-12-36-23)13-19(37-16-7-10-35-11-8-16)17-5-3-4-6-18(17)34-2;1-16-13-5-3-2-4-12(13)14(10-15)18-11-6-8-17-9-7-11;1-6-8-10(21-9(6)14)15-12(19)16(11(8)18)5-7(17)20-13(2,3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-7-10(21-8(5)9-14-2-3-20-9)15-12(19)16(11(7)18)4-6(13)17;1-5-7-10(21-8(5)9-13-2-3-20-9)14-12(19)15(11(7)18)4-6(16)17;3*1-3-4-2;1-2-5-3-4-1;2-1(3,4)8(5,6)7;1-2;;;;/h5-16,23H,17H2,1-4H3;5-14,21H,15H2,1-4H3;3-6,9,12,16,19H,7-8,10-11,13-14H2,1-2H3,(H2,27,31);2-5,11,14-15H,6-10H2,1H3;5H2,1-4H3,(H,15,19);1-10,13H;2-3H,4H2,1H3,(H2,13,17)(H,15,19);2-3H,4H2,1H3,(H,14,19)(H,16,17);3*1,3-4H2,2H3;1-2H;(H,5,6,7);1H3;3*1H4;/t;;19-;14-;;;;;;;;;;;;;;/m..00............../s1/i;;;;;;;;;;;;;1D;;;;.
What are the key properties of [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid?
[bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid has a molecular weight of 3691.32 g/mol, XLogP of 29.94, 45 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(phenyl)methyl]benzene;tert-butyl 2-(1-benzhydryl-6-bromo-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)acetate;tert-butyl 2-[1-benzhydryl-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;deuterio(fluoro)methane;methane;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetamide;2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid;tributyl(1,3-oxazol-2-yl)stannane;trifluoromethanesulfonic acid is sourced from PubChem (CID 159336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).