magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide

C133H171Br4MgN13O40S6Sn — CID 157111881

IUPACmagnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide
SMILESCCCC[Sn](CCCC)(CCCC)c1ncco1.CCO.CCOC(=O)Cn1c(=O)[nH]c2sc(Br)c(C)c2c1=O.CCOC(=O)Cn1c(=O)c2c(C)c(-c3ncco3)sc2n(C[C@H](OC2CCOCC2)c2ccccc2OC)c1=O.CCOC(=O)Cn1c(=O)c2c(C)c(Br)sc2n(C[C@H](OC2CCOCC2)c2ccccc2OC)c1=O.COc1ccccc1[C@H](CO)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(CC(C)(C)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.Cc1c(Br)sc2[nH]c(=O)n(CC(=O)O)c(=O)c12.O=S(=O)(O)O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C28H31N3O8S.C28H33N3O7S.C25H29BrN2O7S.C14H20O4.C11H11BrN2O4S.C9H7BrN2O4S.3C4H9.C3H2NO.C2H6O.CH3.BrH.Mg.H2O4S.Sn/c1-4-37-22(32)16-30-26(33)23-17(2)24(25-29-11-14-38-25)40-27(23)31(28(30)34)15-21(39-18-9-12-36-13-10-18)19-7-5-6-8-20(19)35-3;1-17-22-25(32)31(16-28(2,3)34)27(33)30(26(22)39-23(17)24-29-11-14-37-24)15-21(38-18-9-12-36-13-10-18)19-7-5-6-8-20(19)35-4;1-4-34-20(29)14-27-23(30)21-15(2)22(26)36-24(21)28(25(27)31)13-19(35-16-9-11-33-12-10-16)17-7-5-6-8-18(17)32-3;1-16-13-5-3-2-4-12(13)14(10-15)18-11-6-8-17-9-7-11;1-3-18-6(15)4-14-10(16)7-5(2)8(12)19-9(7)13-11(14)17;1-3-5-7(17-6(3)10)11-9(16)12(8(5)15)2-4(13)14;3*1-3-4-2;1-2-5-3-4-1;1-2-3;;;;1-5(2,3)4;/h5-8,11,14,18,21H,4,9-10,12-13,15-16H2,1-3H3;5-8,11,14,18,21,34H,9-10,12-13,15-16H2,1-4H3;5-8,16,19H,4,9-14H2,1-3H3;2-5,11,14-15H,6-10H2,1H3;3-4H2,1-2H3,(H,13,17);2H2,1H3,(H,11,16)(H,13,14);3*1,3-4H2,2H3;1-2H;3H,2H2,1H3;1H3;1H;;(H2,1,2,3,4);/q;;;;;;;;;;;-1;;+2;;/p-1/t2*21-;19-;14-;;;;;;;;;;;;/m0000............/s1
InChIKeyWNCFVFMOBLUSNR-ZFMRPYNNSA-M
MW3246.92 g/mol
LogP16.77
Rot. Bonds48

About magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide

magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide (PubChem CID 157111881) has the molecular formula C133H171Br4MgN13O40S6Sn and a molecular weight of 3246.92 g/mol. Its IUPAC name is magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide.

Molecular Properties

Compound Namemagnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide
PubChem CID157111881
Molecular FormulaC133H171Br4MgN13O40S6Sn
Molecular Weight3246.92 g/mol
Exact Mass3241.57
IUPAC Namemagnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide
SMILESCCCC[Sn](CCCC)(CCCC)c1ncco1.CCO.CCOC(=O)Cn1c(=O)[nH]c2sc(Br)c(C)c2c1=O.CCOC(=O)Cn1c(=O)c2c(C)c(-c3ncco3)sc2n(C[C@H](OC2CCOCC2)c2ccccc2OC)c1=O.CCOC(=O)Cn1c(=O)c2c(C)c(Br)sc2n(C[C@H](OC2CCOCC2)c2ccccc2OC)c1=O.COc1ccccc1[C@H](CO)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(CC(C)(C)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.Cc1c(Br)sc2[nH]c(=O)n(CC(=O)O)c(=O)c12.O=S(=O)(O)O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C28H31N3O8S.C28H33N3O7S.C25H29BrN2O7S.C14H20O4.C11H11BrN2O4S.C9H7BrN2O4S.3C4H9.C3H2NO.C2H6O.CH3.BrH.Mg.H2O4S.Sn/c1-4-37-22(32)16-30-26(33)23-17(2)24(25-29-11-14-38-25)40-27(23)31(28(30)34)15-21(39-18-9-12-36-13-10-18)19-7-5-6-8-20(19)35-3;1-17-22-25(32)31(16-28(2,3)34)27(33)30(26(22)39-23(17)24-29-11-14-37-24)15-21(38-18-9-12-36-13-10-18)19-7-5-6-8-20(19)35-4;1-4-34-20(29)14-27-23(30)21-15(2)22(26)36-24(21)28(25(27)31)13-19(35-16-9-11-33-12-10-16)17-7-5-6-8-18(17)32-3;1-16-13-5-3-2-4-12(13)14(10-15)18-11-6-8-17-9-7-11;1-3-18-6(15)4-14-10(16)7-5(2)8(12)19-9(7)13-11(14)17;1-3-5-7(17-6(3)10)11-9(16)12(8(5)15)2-4(13)14;3*1-3-4-2;1-2-5-3-4-1;1-2-3;;;;1-5(2,3)4;/h5-8,11,14,18,21H,4,9-10,12-13,15-16H2,1-3H3;5-8,11,14,18,21,34H,9-10,12-13,15-16H2,1-4H3;5-8,16,19H,4,9-14H2,1-3H3;2-5,11,14-15H,6-10H2,1H3;3-4H2,1-2H3,(H,13,17);2H2,1H3,(H,11,16)(H,13,14);3*1,3-4H2,2H3;1-2H;3H,2H2,1H3;1H3;1H;;(H2,1,2,3,4);/q;;;;;;;;;;;-1;;+2;;/p-1/t2*21-;19-;14-;;;;;;;;;;;;/m0000............/s1
InChIKeyWNCFVFMOBLUSNR-ZFMRPYNNSA-M
XLogP16.77
TPSA682.06 Ų
H-Bond Donors8
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003246.92
LogP ≤ 516.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide?
The IUPAC name of magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide (CID 157111881) is magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide.
What is the SMILES notation for magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide?
The canonical SMILES for magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide is CCCC[Sn](CCCC)(CCCC)c1ncco1.CCO.CCOC(=O)Cn1c(=O)[nH]c2sc(Br)c(C)c2c1=O.CCOC(=O)Cn1c(=O)c2c(C)c(-c3ncco3)sc2n(C[C@H](OC2CCOCC2)c2ccccc2OC)c1=O.CCOC(=O)Cn1c(=O)c2c(C)c(Br)sc2n(C[C@H](OC2CCOCC2)c2ccccc2OC)c1=O.COc1ccccc1[C@H](CO)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(CC(C)(C)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.Cc1c(Br)sc2[nH]c(=O)n(CC(=O)O)c(=O)c12.O=S(=O)(O)O.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide?
The InChIKey is WNCFVFMOBLUSNR-ZFMRPYNNSA-M. The full InChI is InChI=1S/C28H31N3O8S.C28H33N3O7S.C25H29BrN2O7S.C14H20O4.C11H11BrN2O4S.C9H7BrN2O4S.3C4H9.C3H2NO.C2H6O.CH3.BrH.Mg.H2O4S.Sn/c1-4-37-22(32)16-30-26(33)23-17(2)24(25-29-11-14-38-25)40-27(23)31(28(30)34)15-21(39-18-9-12-36-13-10-18)19-7-5-6-8-20(19)35-3;1-17-22-25(32)31(16-28(2,3)34)27(33)30(26(22)39-23(17)24-29-11-14-37-24)15-21(38-18-9-12-36-13-10-18)19-7-5-6-8-20(19)35-4;1-4-34-20(29)14-27-23(30)21-15(2)22(26)36-24(21)28(25(27)31)13-19(35-16-9-11-33-12-10-16)17-7-5-6-8-18(17)32-3;1-16-13-5-3-2-4-12(13)14(10-15)18-11-6-8-17-9-7-11;1-3-18-6(15)4-14-10(16)7-5(2)8(12)19-9(7)13-11(14)17;1-3-5-7(17-6(3)10)11-9(16)12(8(5)15)2-4(13)14;3*1-3-4-2;1-2-5-3-4-1;1-2-3;;;;1-5(2,3)4;/h5-8,11,14,18,21H,4,9-10,12-13,15-16H2,1-3H3;5-8,11,14,18,21,34H,9-10,12-13,15-16H2,1-4H3;5-8,16,19H,4,9-14H2,1-3H3;2-5,11,14-15H,6-10H2,1H3;3-4H2,1-2H3,(H,13,17);2H2,1H3,(H,11,16)(H,13,14);3*1,3-4H2,2H3;1-2H;3H,2H2,1H3;1H3;1H;;(H2,1,2,3,4);/q;;;;;;;;;;;-1;;+2;;/p-1/t2*21-;19-;14-;;;;;;;;;;;;/m0000............/s1.
What are the key properties of magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide?
magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide has a molecular weight of 3246.92 g/mol, XLogP of 16.77, 48 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic acid;carbanide;ethanol;ethyl 2-[6-bromo-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate;ethyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetate;ethyl 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]acetate;3-(2-hydroxy-2-methylpropyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethanol;sulfuric acid;tributyl(1,3-oxazol-2-yl)stannane;bromide is sourced from PubChem (CID 157111881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).