 | | QQ5 | | Name: | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone | | Formula: | C22 H24 Cl N3 O4 | | SMILES: | COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CC[CH](O)[CH](C)C4 | | InChi: | InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-18(13)27)21(28)15-9-17-20(19(10-15)29-2)30-22(25-17)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,18,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,18-/m1/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
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 | | QQE | | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | | Formula: | C24 H28 Cl N3 O5 | | SMILES: | COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | | InChi: | InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15+,19-/m0/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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 | | QQK | | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | | Formula: | C26 H32 Cl N3 O5 | | SMILES: | CC[CH]1CO[C](C)(CCO)CN1C(=O)c2cc(OC)c3oc(N[CH](C)c4cccc(Cl)c4)nc3c2 | | InChi: | InChI=1S/C26H32ClN3O5/c1-5-20-14-34-26(3,9-10-31)15-30(20)24(32)18-12-21-23(22(13-18)33-4)35-25(29-21)28-16(2)17-7-6-8-19(27)11-17/h6-8,11-13,16,20,31H,5,9-10,14-15H2,1-4H3,(H,28,29)/t16-,20-,26+/m1/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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 | | QQT | | Name: | [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | | Formula: | C24 H27 Cl F N3 O5 | | SMILES: | COc1cc(cc2nc(N[CH](CF)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | | InChi: | InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14-,18-,20+/m0/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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 | | QQW | | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | | Formula: | C24 H28 Cl N3 O5 | | SMILES: | COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | | InChi: | InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-/m1/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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 | | QTD | | Name: | 4-phenoxybenzene-1-sulfonamide | | Formula: | C12 H11 N O3 S | | SMILES: | c2(Oc1ccc(S(N)(=O)=O)cc1)ccccc2 | | InChi: | InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15) | | Definition date: | 2019-12-18 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4-phenoxybenzene-1-sulfonamide |
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 | | QTG | | Name: | 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide | | Formula: | C10 H14 F N O2 S | | SMILES: | c1c(c(cc(c1)F)C)S(NCCC)(=O)=O | | InChi: | InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3 | | Definition date: | 2019-12-18 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide |
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 | | QTJ | | Name: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | | Formula: | C12 H9 Cl F N O3 S | | SMILES: | NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O | | InChi: | InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17) | | Definition date: | 2019-12-18 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
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 | | QTM | | Name: | 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | | Formula: | C14 H14 Cl F N2 O3 S | | SMILES: | NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F | | InChi: | InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20) | | Definition date: | 2019-12-18 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
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 | | QTS | | Name: | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine | | Formula: | C14 H12 Cl N3 | | SMILES: | n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N | | InChi: | InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17) | | Definition date: | 2019-12-18 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine |
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 | | QTV | | Name: | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole | | Formula: | C11 H10 F N3 O2 | | SMILES: | n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O | | InChi: | InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3 | | Definition date: | 2019-12-18 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole |
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 | | OGS | | Name: | 4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside | | Formula: | C20 H32 O9 S | | SMILES: | C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS(=O)(O)=O)O | | InChi: | InChI=1S/C20H32O9S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)28-20-19(23)18(22)17(21)16(29-20)13-27-30(24,25)26/h9-12,16-23H,2-8,13H2,1H3,(H,24,25,26)/t16-,17-,18+,19-,20+/m1/s1 | | Definition date: | 2018-08-07 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside |
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 | | PZ4 | | Name: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine | | Formula: | C11 H9 F N6 | | SMILES: | CNc3nc(c2cnc1c2cncn1)ncc3F | | InChi: | InChI=1S/C11H9FN6/c1-13-11-8(12)4-16-10(18-11)7-3-15-9-6(7)2-14-5-17-9/h2-5H,1H3,(H,13,16,18)(H,14,15,17) | | Definition date: | 2019-08-29 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine |
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 | | PQP | | Name: | 4-(1H-imidazol-1-yl)benzoic acid | | Formula: | C10 H8 N2 O2 | | SMILES: | c1cn(cn1)c2ccc(C(O)=O)cc2 | | InChi: | InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14) | | Definition date: | 2019-08-21 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4-(1H-imidazol-1-yl)benzoic acid |
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 | | T6S | | Name: | alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside | | Formula: | C12 H22 O14 S | | SMILES: | C1(C(O)C(O)C(C(O1)OC2C(O)C(O)C(C(O2)CO)O)O)COS(O)(=O)=O | | InChi: | InChI=1S/C12H22O14S/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 | | Definition date: | 2018-08-07 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside |
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 | | U41 | | Name: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide | | Formula: | C21 H20 Cl F N2 O2 | | SMILES: | C(=O)(c1cccc(c1)Cl)NC24CC(C2)(C(C(=O)Nc3ccc(cc3)F)C)C4 | | InChi: | InChI=1S/C21H20ClFN2O2/c1-13(18(26)24-17-7-5-16(23)6-8-17)20-10-21(11-20,12-20)25-19(27)14-3-2-4-15(22)9-14/h2-9,13H,10-12H2,1H3,(H,24,26)(H,25,27)/t13-,20-,21+/m1/s1 | | Definition date: | 2020-04-15 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide |
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 | | V67 | | Name: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid | | Formula: | C15 H9 F2 N5 O3 | | SMILES: | n1(cncc1)c2nnc(cc2)C(Nc3c(cc(c(c3)F)F)C(O)=O)=O | | InChi: | InChI=1S/C15H9F2N5O3/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25) | | Definition date: | 2020-07-06 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid |
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 | | V9G | | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE | | Formula: | C22 H32 N10 O17 P3 | | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C22H32N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,26)(H3,24,28,29,36)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 | | Definition date: | 2020-07-21 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
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 | | VJ1 | | Name: | 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose | | Formula: | C34 H68 N O12 P | | SMILES: | C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO | | InChi: | InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1 | | Definition date: | 2020-08-13 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose |
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 | | VJ4 | | Name: | 2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-alpha-D-glucopyranose | | Formula: | C22 H44 N O11 P | | SMILES: | N(C(CC(OC(=O)CCCC)CCCCCCCC)O)C1C(OC(C(OP(O)(=O)O)C1O)CO)O | | InChi: | InChI=1S/C22H44NO11P/c1-3-5-7-8-9-10-11-15(32-18(26)12-6-4-2)13-17(25)23-19-20(27)21(34-35(29,30)31)16(14-24)33-22(19)28/h15-17,19-25,27-28H,3-14H2,1-2H3,(H2,29,30,31)/t15-,16-,17+,19-,20-,21-,22-/m1/s1 | | Definition date: | 2020-08-13 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-beta-D-glucopyranose |
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 | | S7D | | Name: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone | | Formula: | C10 H15 N3 O2 | | SMILES: | C[CH]1CN(CCO1)C(=O)Cn2cccn2 | | InChi: | InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-08-20 | | Release date: | 2020-03-25 | | Identifier: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone |
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 | | 4GC | | Name: | Beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose | | Formula: | C24 H42 O21 | | SMILES: | O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | | InChi: | InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+/m1/s1 | | Definition date: | 2008-11-11 | | Last modified: | 2020-08-19 | | Identifier: | beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose |
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 | | G8L | | Name: | quinoline-8-sulfonamide | | Formula: | C9 H8 N2 O2 S | | SMILES: | N[S](=O)(=O)c1cccc2cccnc12 | | InChi: | InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13) | | Definition date: | 2020-08-05 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | quinoline-8-sulfonamide |
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 | | G8O | | Name: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid | | Formula: | C13 H12 O4 S | | SMILES: | COc1cc(OC)c(cc1C(O)=O)c2sccc2 | | InChi: | InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15) | | Definition date: | 2020-08-06 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
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 | | CJA | | Name: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one | | Formula: | C17 H20 N2 O S3 | | SMILES: | c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3 | | InChi: | InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3 | | Definition date: | 2017-09-26 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one |
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