 | | ZJ7 | | Name: | 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid | | Formula: | C14 H14 O2 S | | SMILES: | OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C | | InChi: | InChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16) | | Definition date: | 2021-04-29 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid |
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 | | ZJA | | Name: | 5-(2-methylphenyl)thiophene-2-carboxylic acid | | Formula: | C12 H10 O2 S | | SMILES: | OC(=O)c1ccc(s1)c1ccccc1C | | InChi: | InChI=1S/C12H10O2S/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14) | | Definition date: | 2021-04-29 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-(2-methylphenyl)thiophene-2-carboxylic acid |
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 | | ZJD | | Name: | 5-(2-ethylphenyl)thiophene-2-carboxylic acid | | Formula: | C13 H12 O2 S | | SMILES: | OC(=O)c1ccc(s1)c1ccccc1CC | | InChi: | InChI=1S/C13H12O2S/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)13(14)15/h3-8H,2H2,1H3,(H,14,15) | | Definition date: | 2021-04-29 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-(2-ethylphenyl)thiophene-2-carboxylic acid |
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 | | X5D | | Name: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione | | Formula: | C20 H25 N7 O12 P2 | | SMILES: | c1nc6c(n1C5C3C(C(COP(O)(OC2CC(CC2COP(=O)(O3)O)Oc4ncncc4)=O)O5)O)N=C(NC6=O)N | | InChi: | InChI=1S/C20H25N7O12P2/c21-20-25-17-14(18(29)26-20)24-8-27(17)19-16-15(28)12(37-19)6-35-40(30,31)38-11-4-10(36-13-1-2-22-7-23-13)3-9(11)5-34-41(32,33)39-16/h1-2,7-12,15-16,19,28H,3-6H2,(H,30,31)(H,32,33)(H3,21,25,26,29)/t9-,10-,11+,12-,15-,16-,19-/m1/s1 | | Definition date: | 2020-11-30 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione |
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 | | VFD | | Name: | Olodanrigan | | Formula: | C32 H29 N O5 | | SMILES: | N3(C(=O)C(c1ccccc1)c2ccccc2)Cc4c(CC3C(O)=O)c(c(cc4)OC)OCc5ccccc5 | | InChi: | InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | | Synonyms: | EMA401 | | Definition date: | 2020-08-06 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | Y5V | | Name: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide | | Formula: | C21 H21 N3 O5 | | SMILES: | c1ccc(c(c1)C2=NC(=C(C(N2)=O)O)C(NCCc3cc(c(cc3)O)OC)=O)C | | InChi: | InChI=1S/C21H21N3O5/c1-12-5-3-4-6-14(12)19-23-17(18(26)21(28)24-19)20(27)22-10-9-13-7-8-15(25)16(11-13)29-2/h3-8,11,25-26H,9-10H2,1-2H3,(H,22,27)(H,23,24,28) | | Definition date: | 2021-02-05 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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 | | T0P | | Name: | [(2~{R},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{H}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C18 H20 F N5 O8 P | | SMILES: | NC1=Nc2c(n(CC(=O)c3ccccc3)c[n]2[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4F)C(=O)N1 | | InChi: | InChI=1S/C18H20FN5O8P/c19-12-14(26)11(7-31-33(28,29)30)32-17(12)24-8-23(6-10(25)9-4-2-1-3-5-9)13-15(24)21-18(20)22-16(13)27/h1-5,8,11-12,14,17,26H,6-7H2,(H2,28,29,30)(H3,20,21,22,27)/t11-,12+,14-,17-/m1/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | [(2~{R},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{H}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | WTP | | Name: | 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine | | Formula: | C20 H27 Cl N6 O | | SMILES: | c1(nc(ncc1Cl)Nc3ccc(N2CCN(C)CC2)cc3)NCC4OCCC4 | | InChi: | InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine |
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 | | V1W | | Name: | v-coelenterazine | | Formula: | C28 H21 N3 O5 | | SMILES: | OO[C]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6 | | InChi: | InChI=1S/C28H21N3O5/c32-20-9-6-18(7-10-20)16-28(36-35)27(34)31-24-13-8-19-15-21(33)11-12-22(19)25(24)29-23(26(31)30-28)14-17-4-2-1-3-5-17/h1-13,15,32-33,35H,14,16H2/t28-/m0/s1 | | Definition date: | 2021-04-06 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 |
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 | | XQP | | Name: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | | Formula: | C20 H22 N6 O10 S | | SMILES: | C(O)(C(NC(=O)C(C(=O)O)c1ccc(cc1)O)(C2OCC(=C(C(O)=O)N2)CSc3n(C)nnn3)OC)=O | | InChi: | InChI=1S/C20H22N6O10S/c1-26-19(23-24-25-26)37-8-10-7-36-17(21-13(10)16(31)32)20(35-2,18(33)34)22-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,17,21,27H,7-8H2,1-2H3,(H,22,28)(H,29,30)(H,31,32)(H,33,34)/t12-,17-,20-/m1/s1 | | Definition date: | 2021-01-04 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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 | | VJH | | Name: | 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide | | Formula: | C29 H31 F N10 O | | SMILES: | CN(C)CCn1cc(cn1)c2cc(Nc3[nH]nc(C)c3)nc(Nc4ccc(CC(=O)Nc5cccc(F)c5)cc4)n2 | | InChi: | InChI=1S/C29H31FN10O/c1-19-13-27(38-37-19)35-26-16-25(21-17-31-40(18-21)12-11-39(2)3)34-29(36-26)33-23-9-7-20(8-10-23)14-28(41)32-24-6-4-5-22(30)15-24/h4-10,13,15-18H,11-12,14H2,1-3H3,(H,32,41)(H3,33,34,35,36,37,38) | | Definition date: | 2021-05-19 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide |
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 | | Y9Y | | Name: | paranitrophenyl-alpha-L-galactopyranoside | | Formula: | C12 H15 N O8 | | SMILES: | OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m0/s1 | | Synonyms: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol | | Definition date: | 2021-02-12 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol |
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 | | 81O | | Name: | 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid | | Formula: | C27 H26 F4 N2 O4 | | SMILES: | CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(C)ncc(C(O)=O)c3C | | InChi: | InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36) | | Definition date: | 2021-11-12 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid |
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 | | 820 | | Name: | (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | | Formula: | C23 H26 F3 N O4 | | SMILES: | CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F | | InChi: | InChI=1S/C23H26F3NO4/c1-3-11-31-20-10-5-15(12-16(4-2)22(29)30)13-18(20)14-27-21(28)17-6-8-19(9-7-17)23(24,25)26/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1 | | Definition date: | 2021-11-15 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2~{S})-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid |
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 | | 82K | | Name: | (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | | Formula: | C26 H32 F3 N O4 | | SMILES: | CCCCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F | | InChi: | InChI=1S/C26H32F3NO4/c1-3-5-6-7-14-34-23-13-8-18(15-19(4-2)25(32)33)16-21(23)17-30-24(31)20-9-11-22(12-10-20)26(27,28)29/h8-13,16,19H,3-7,14-15,17H2,1-2H3,(H,30,31)(H,32,33)/t19-/m0/s1 | | Definition date: | 2021-11-15 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2~{S})-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid |
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 | | B7L | | Name: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid | | Formula: | C17 H12 N4 O4 | | SMILES: | O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12 | | InChi: | InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24) | | Definition date: | 2021-11-12 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid |
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 | | 5Z9 | | Name: | (2R)-2-methyl-2-oxidanyl-butanenitrile | | Formula: | C5 H9 N O | | SMILES: | CC[C](C)(O)C#N | | InChi: | InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1 | | Definition date: | 2021-09-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2~{R})-2-methyl-2-oxidanyl-butanenitrile |
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 | | 8VD | | Name: | N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine | | Formula: | C10 H13 F3 N4 | | SMILES: | FC(F)(F)c1cc(ncn1)NC1CCNCC1 | | InChi: | InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17) | | Definition date: | 2021-10-01 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine |
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 | | 8W1 | | Name: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one | | Formula: | C9 H7 F3 N2 O | | SMILES: | FC(F)(F)c1cn2C=C(C)NC(=O)c2c1 | | InChi: | InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15) | | Definition date: | 2021-10-01 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one |
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 | | 8WP | | Name: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide | | Formula: | C9 H7 F3 N4 O2 | | SMILES: | NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F | | InChi: | InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18) | | Definition date: | 2021-10-01 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide |
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 | | 8XF | | Name: | 6-(trifluoromethyl)pyrimidin-4-amine | | Formula: | C5 H4 F3 N3 | | SMILES: | Nc1cc(ncn1)C(F)(F)F | | InChi: | InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11) | | Definition date: | 2021-10-01 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 6-(trifluoromethyl)pyrimidin-4-amine |
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 | | GHU | | Name: | ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate | | Formula: | C20 H28 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC | | InChi: | InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24) | | Definition date: | 2021-12-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate |
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 | | GI6 | | Name: | (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide | | Formula: | C19 H27 N5 O3 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(N)=O | | InChi: | InChI=1S/C19H27N5O3/c1-3-14-16(17(20)24-19(22)23-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(21)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,25)(H4,20,22,23,24)/t12-/m1/s1 | | Definition date: | 2021-12-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide |
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 | | GQO | | Name: | 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide | | Formula: | C19 H29 N5 O4 S | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)N(C)C | | InChi: | InChI=1S/C19H29N5O4S/c1-4-15-17(18(20)23-19(21)22-15)28-12-7-11-27-16-9-6-5-8-14(16)10-13-29(25,26)24(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H4,20,21,22,23) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide |
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 | | GUU | | Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide | | Formula: | C19 H27 N5 O5 S | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O | | InChi: | InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide |
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