About 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide
2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide (PubChem CID 158582968) has the molecular formula C136H174B2Br2Cl2N20O23S5Si3
and a molecular weight of 2953.94 g/mol. Its IUPAC name is 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide.
Frequently Asked Questions
What is the IUPAC name of 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide (CID 158582968) is 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide is C=CC(=O)Nc1cccc(O)c1.C=CC(=O)Nc1cccc(Oc2ncnc3[nH]c(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)cc23)c1.C=CC(=O)Nc1cccc(Oc2ncnc3c2cc(-c2ccc(CN4CCS(=O)(=O)CC4)cc2)n3COCC[Si](C)(C)C)c1.CC1(C)OB(c2ccc(CBr)cc2)OC1(C)C.CC1(C)OB(c2ccc(CN3CCS(=O)(=O)CC3)cc2)OC1(C)C.C[Si](C)(C)CCOCn1c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc2c(Cl)ncnc21.C[Si](C)(C)CCOCn1c(Br)cc2c(Cl)ncnc21.O=S1(=O)CCNCC1.
What is the InChIKey of 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?
The InChIKey is HTMBJYJOGPHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5SSi.C26H25N5O4S.C23H31ClN4O3SSi.C17H26BNO4S.C13H18BBrO2.C12H17BrClN3OSi.C9H9NO2.C4H9NO2S/c1-5-30(38)35-26-7-6-8-27(19-26)42-32-28-20-29(37(31(28)33-22-34-32)23-41-15-18-44(2,3)4)25-11-9-24(10-12-25)21-36-13-16-43(39,40)17-14-36;1-2-24(32)29-20-4-3-5-21(14-20)35-26-22-15-23(30-25(22)27-17-28-26)19-8-6-18(7-9-19)16-31-10-12-36(33,34)13-11-31;1-33(2,3)13-10-31-17-28-21(14-20-22(24)25-16-26-23(20)28)19-6-4-18(5-7-19)15-27-8-11-32(29,30)12-9-27;1-16(2)17(3,4)23-18(22-16)15-7-5-14(6-8-15)13-19-9-11-24(20,21)12-10-19;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;1-19(2,3)5-4-18-8-17-10(13)6-9-11(14)15-7-16-12(9)17;1-2-9(12)10-7-4-3-5-8(11)6-7;6-8(7)3-1-5-2-4-8/h5-12,19-20,22H,1,13-18,21,23H2,2-4H3,(H,35,38);2-9,14-15,17H,1,10-13,16H2,(H,29,32)(H,27,28,30);4-7,14,16H,8-13,15,17H2,1-3H3;5-8H,9-13H2,1-4H3;5-8H,9H2,1-4H3;6-7H,4-5,8H2,1-3H3;2-6,11H,1H2,(H,10,12);5H,1-4H2.
What are the key properties of 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?
2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide has a molecular weight of 2953.94 g/mol, XLogP of 22.40, 39 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[[4-chloro-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[3-[6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;N-(3-hydroxyphenyl)prop-2-enamide;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 158582968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).