| G8I | Name: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid | Formula: | C6 H12 O3 | SMILES: | O=C(O)C(O)C(C)(C)C | InChi: | InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid |
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| GHO | Name: | (1R)-1-hydroxyethane-1-sulfonic acid | Formula: | C2 H6 O4 S | SMILES: | CC(O)S(=O)(=O)O | InChi: | InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (1R)-1-hydroxyethane-1-sulfonic acid |
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| GIW | Name: | 1,3-dithiane-2-carboxylic acid | Formula: | C5 H8 O2 S2 | SMILES: | O=C(O)C1SCCCS1 | InChi: | InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7) | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 1,3-dithiane-2-carboxylic acid |
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| GJM | Name: | (2S)-oxane-2-carboxylic acid | Formula: | C6 H10 O3 | SMILES: | O=C(O)C1CCCCO1 | InChi: | InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2S)-oxane-2-carboxylic acid |
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| A1IA7 | Name: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid | Formula: | C17 H12 N2 O4 | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(cc2)c3ccccc3 | InChi: | InChI=1S/C17H12N2O4/c20-14-13(17(22)23)18-15(19-16(14)21)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20H,(H,22,23)(H,18,19,21) | Definition date: | 2024-05-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1~{H}-pyrimidine-4-carboxylic acid |
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| A1IA8 | Name: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid | Formula: | C19 H13 N3 O4 | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccccc2c3ccc(CC#N)cc3 | InChi: | InChI=1S/C19H13N3O4/c20-10-9-11-5-7-12(8-6-11)13-3-1-2-4-14(13)17-21-15(19(25)26)16(23)18(24)22-17/h1-8,23H,9H2,(H,25,26)(H,21,22,24) | Definition date: | 2024-05-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid |
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| A1IB1 | Name: | 4-(phenylmethyl)piperidine | Formula: | C12 H17 N | SMILES: | C1CC(CCN1)Cc2ccccc2 | InChi: | InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2 | Definition date: | 2024-05-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 4-(phenylmethyl)piperidine |
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| A1IBD | Name: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | Formula: | C10 H16 N2 O2 S | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | Definition date: | 2024-05-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
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| A1IBE | Name: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide | Formula: | C9 H13 F N2 O3 S | SMILES: | NC[CH](O)CN[S](=O)(=O)c1ccccc1F | InChi: | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 | Definition date: | 2024-05-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
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| A1IBQ | Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide | Formula: | C14 H14 F2 N2 O2 S | SMILES: | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 | InChi: | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 | Definition date: | 2024-05-14 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
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| A1IBR | Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide | Formula: | C15 H16 F2 N2 O2 S | SMILES: | CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2 | InChi: | InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1 | Definition date: | 2024-05-14 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
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| A1L2I | Name: | Acarviosin | Formula: | C14 H25 N O8 | SMILES: | CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | InChi: | InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7+,8-,9-,10+,11+,12+,13-,14+/m1/s1 | Synonyms: | (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol | Definition date: | 2024-06-21 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol |
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| A1APA | Name: | cobicistat | Formula: | C40 H53 N7 O5 S2 | SMILES: | CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(Cc2ccccc2)CCC(Cc2ccccc2)NC(=O)OCc2cncs2)cs1 | InChi: | InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 | Synonyms: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate | Definition date: | 2024-04-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate |
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| A1APE | Name: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Formula: | C26 H38 N5 O21 P3 | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(OCc3c(COP(=O)(O)O)cnc(C)c3O)C(NC(C)=O)C2NC(C)=O)C(O)C1O | InChi: | InChI=1S/C26H38N5O21P3/c1-11-21(35)15(14(6-27-11)7-48-53(39,40)41)8-46-16-9-47-25(20(29-13(3)33)19(16)28-12(2)32)51-55(44,45)52-54(42,43)49-10-17-22(36)23(37)24(50-17)31-5-4-18(34)30-26(31)38/h4-6,16-17,19-20,22-25,35-37H,7-10H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)(H,44,45)(H,30,34,38)(H2,39,40,41)/t16-,17+,19-,20+,22+,23+,24+,25+/m0/s1 | Definition date: | 2024-04-22 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| A1AUU | Name: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one | Formula: | C19 H22 F N3 O2 | SMILES: | O=C(C1CC(=O)NCC1)N1CCC(CC1)c1c[NH]c2ccc(F)cc12 | InChi: | InChI=1S/C19H22FN3O2/c20-14-1-2-17-15(10-14)16(11-22-17)12-4-7-23(8-5-12)19(25)13-3-6-21-18(24)9-13/h1-2,10-13,22H,3-9H2,(H,21,24)/t13-/m1/s1 | Definition date: | 2024-06-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one |
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| A1D5D | Name: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide | Formula: | C38 H49 N5 O2 | SMILES: | C[CH](CCN)CC(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4 | InChi: | InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29-,35+/m1/s1 | Synonyms: | L797591 | Definition date: | 2024-01-03 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide |
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| AJO | Name: | 2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide | Formula: | C11 H14 N4 O | SMILES: | CN(CC#N)CC(=O)Nc1cccc(C)n1 | InChi: | InChI=1S/C11H14N4O/c1-9-4-3-5-10(13-9)14-11(16)8-15(2)7-6-12/h3-5H,7-8H2,1-2H3,(H,13,14,16) | Definition date: | 2021-11-09 | Last modified: | 2024-06-26 | Release date: | 2024-06-19 | Identifier: | 2-[cyanomethyl(methyl)amino]-~{N}-(6-methylpyridin-2-yl)ethanamide |
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| FO6 | Name: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Formula: | C27 H36 O3 | SMILES: | CC(C)(O)C#CC#C[C]1(C)CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C27H36O3/c1-19-21(17-22(28)18-24(19)29)11-10-20-9-8-15-27(5)23(20)12-16-26(27,4)14-7-6-13-25(2,3)30/h10-11,22-24,28-30H,1,8-9,12,15-18H2,2-5H3/b20-10+,21-11-/t22-,23+,24+,26+,27+/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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| JRU | Name: | methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate | Formula: | C21 H23 N5 O5 S | SMILES: | COC(=O)c1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1 | InChi: | InChI=1S/C21H23N5O5S/c1-13(2)32(28,29)18-8-6-5-7-15(18)24-20-22-12-23-21(26-20)25-16-11-14(19(27)31-4)9-10-17(16)30-3/h5-13H,1-4H3,(H2,22,23,24,25,26) | Synonyms: | ortho-cresol,2-methylphenol | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate |
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| JSL | Name: | ~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C20 H23 N5 O4 S | SMILES: | COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1 | InChi: | InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-16(18)24-20-22-12-21-19(25-20)23-15-10-9-14(28-3)11-17(15)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25) | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
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| JT4 | Name: | ~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C20 H23 N5 O4 S | SMILES: | COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1 | InChi: | InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-15(18)23-19-21-12-22-20(25-19)24-16-11-14(28-3)9-10-17(16)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25) | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
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| JTR | Name: | ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C19 H21 N5 O3 S | SMILES: | COc1ccccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2 | InChi: | InChI=1S/C19H21N5O3S/c1-13(2)28(25,26)17-11-7-5-9-15(17)23-19-21-12-20-18(24-19)22-14-8-4-6-10-16(14)27-3/h4-13H,1-3H3,(H2,20,21,22,23,24) | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
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| JUA | Name: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide | Formula: | C26 H36 N8 O5 S | SMILES: | COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)CCCNC(=O)[CH](N)CCCCN)n2)c1 | InChi: | InChI=1S/C26H36N8O5S/c1-38-18-11-12-22(39-2)21(16-18)33-26-31-17-30-25(34-26)32-20-9-3-4-10-23(20)40(36,37)15-7-14-29-24(35)19(28)8-5-6-13-27/h3-4,9-12,16-17,19H,5-8,13-15,27-28H2,1-2H3,(H,29,35)(H2,30,31,32,33,34)/t19-/m0/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide |
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| A1ACY | Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside | Formula: | C16 H19 N O7 | SMILES: | CC1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc12 | InChi: | InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1 | Definition date: | 2024-01-17 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside |
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| A1IBV | Name: | 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Formula: | C17 H16 Cl N3 O | SMILES: | CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3 | InChi: | InChI=1S/C17H16ClN3O/c1-12-8-14(10-20(2)17(12)22)16-19-15(18)11-21(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3 | Definition date: | 2024-05-15 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 5-[4-chloranyl-1-(phenylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
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