 | | WFA | | Name: | 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid | | Formula: | C21 H30 N6 O3 | | SMILES: | c1(ccccc1N2CCC(C(O)=O)CC2)NCCCOc3c(CC)nc(nc3N)N | | InChi: | InChI=1S/C21H30N6O3/c1-2-15-18(19(22)26-21(23)25-15)30-13-5-10-24-16-6-3-4-7-17(16)27-11-8-14(9-12-27)20(28)29/h3-4,6-7,14,24H,2,5,8-13H2,1H3,(H,28,29)(H4,22,23,25,26) | | Definition date: | 2020-10-26 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid |
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 | | WFJ | | Name: | 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid | | Formula: | C22 H30 N6 O3 | | SMILES: | CCc1c(c(N)nc(n1)N)OCC2CN(C2)c3c(cccc3)N4CCC(CC4)C(O)=O | | InChi: | InChI=1S/C22H30N6O3/c1-2-16-19(20(23)26-22(24)25-16)31-13-14-11-28(12-14)18-6-4-3-5-17(18)27-9-7-15(8-10-27)21(29)30/h3-6,14-15H,2,7-13H2,1H3,(H,29,30)(H4,23,24,25,26) | | Definition date: | 2020-10-26 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid |
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 | | XTJ | | Name: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate | | Formula: | C21 H28 F N3 O5 | | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2cccc(c2)F)=O)CCN3 | | InChi: | InChI=1S/C21H28FN3O5/c22-16-3-1-2-14(8-16)12-30-21(29)25-18(9-13-4-5-13)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h1-3,8,13,15,17-18,26H,4-7,9-12H2,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1 | | Definition date: | 2021-01-12 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | | XTP | | Name: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | Formula: | C21 H29 N3 O5 | | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3 | | InChi: | InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | | TVT | | Name: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile | | Formula: | C14 H16 F3 N7 | | SMILES: | CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F | | InChi: | InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22) | | Synonyms: | 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile |
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 | | TW2 | | Name: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C15 H13 F N6 | | SMILES: | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 | | InChi: | InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21) | | Synonyms: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | XU4 | | Name: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide | | Formula: | C22 H33 N3 O5 | | SMILES: | C2(C(CC(CO)NC(C(CC(C)C)NC(OC(C)c1ccccc1)=O)=O)CCN2)=O | | InChi: | InChI=1S/C22H33N3O5/c1-14(2)11-19(25-22(29)30-15(3)16-7-5-4-6-8-16)21(28)24-18(13-26)12-17-9-10-23-20(17)27/h4-8,14-15,17-19,26H,9-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-,19-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide |
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 | | TWH | | Name: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C13 H16 N6 | | SMILES: | C[CH]1CCCN1c2n(C)c3ncnc(N)c3c2C#N | | InChi: | InChI=1S/C13H16N6/c1-8-4-3-5-19(8)13-9(6-14)10-11(15)16-7-17-12(10)18(13)2/h7-8H,3-5H2,1-2H3,(H2,15,16,17)/t8-/m1/s1 | | Synonyms: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | TWK | | Name: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C14 H9 F2 N5 | | SMILES: | Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F | | InChi: | InChI=1S/C14H9F2N5/c1-21-12(7-3-2-4-9(15)11(7)16)8(5-17)10-13(18)19-6-20-14(10)21/h2-4,6H,1H3,(H2,18,19,20) | | Synonyms: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | XV4 | | Name: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Formula: | C23 H32 N4 O5 | | SMILES: | C3(C(CC(NC(C(CC(C)C)NC(c1nc2c(c1)c(OC)ccc2)=O)=O)CO)CCN3)=O | | InChi: | InChI=1S/C23H32N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,26,28H,7-10,12H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1 | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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 | | T4Q | | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide | | Formula: | C17 H16 N2 O S2 | | SMILES: | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N | | InChi: | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
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 | | T4W | | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C16 H14 N2 O S2 | | SMILES: | SCCNC(=O)c1ccccc1Sc2ccccc2C#N | | InChi: | InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | T4Z | | Name: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide | | Formula: | C11 H14 Cl N O S2 | | SMILES: | SCCCNC(=O)CSc1ccc(Cl)cc1 | | InChi: | InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide |
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 | | T5N | | Name: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 Br N O2 S | | SMILES: | CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS | | InChi: | InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T5Q | | Name: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H15 F2 N O2 S | | SMILES: | CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS | | InChi: | InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T5T | | Name: | 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 F N O2 S | | SMILES: | CC(C)(Oc1ccc(F)cc1)C(=O)NCCS | | InChi: | InChI=1S/C12H16FNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | YUS | | Name: | N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide | | Formula: | C21 H20 N2 O3 | | SMILES: | COc1cc(ccc1OC)C=NNC(=O)Cc1cccc2ccccc21 | | InChi: | InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+ | | Definition date: | 2021-04-01 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide |
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 | | T5W | | Name: | 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H15 Cl2 N O2 S | | SMILES: | CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS | | InChi: | InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | YUV | | Name: | (25R)-14beta,17beta-spirost-5-en-3beta-ol | | Formula: | C27 H42 O3 | | SMILES: | CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)CO2 | | InChi: | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (25R)-14beta,17beta-spirost-5-en-3beta-ol |
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 | | T5Z | | Name: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C13 H18 Br N O3 S | | SMILES: | COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br | | InChi: | InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | YUY | | Name: | (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C44 H72 O15 | | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(CO)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | | InChi: | InChI=1S/C44H72O15/c1-22-7-13-44(55-20-22)23(2)33-30(59-44)16-29-27-6-5-25-15-26(8-11-42(25,3)28(27)9-12-43(29,33)4)53-14-10-24(17-45)21-54-40-38(52)36(50)39(32(19-47)57-40)58-41-37(51)35(49)34(48)31(18-46)56-41/h5,22-24,26-41,45-52H,6-21H2,1-4H3/t22-,23+,24-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | T6H | | Name: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H17 N O2 S | | SMILES: | CC(C)(Oc1ccccc1)C(=O)NCCS | | InChi: | InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide |
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 | | T6N | | Name: | 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C13 H19 N O2 S | | SMILES: | Cc1ccc(OC(C)(C)C(=O)NCCS)cc1 | | InChi: | InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide |
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 | | T6W | | Name: | 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 Cl N2 O4 S | | SMILES: | CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS | | InChi: | InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2-,14,16,17,18,20)/p+1 | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | [3-chloranyl-4-[2-methyl-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]oxy-phenyl]-oxidanyl-oxidanylidene-azanium |
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 | | U0K | | Name: | 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C21 H27 N9 O | | SMILES: | C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N | | InChi: | InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14-/m1/s1 | | Synonyms: | 4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{R})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{R})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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