| QB3 | Name: | 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol | Formula: | C16 H21 N3 O3 | SMILES: | CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1 | InChi: | InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20) | Definition date: | 2022-06-05 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol |
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| QIJ | Name: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione | Formula: | C7 H7 N5 O2 | SMILES: | O=C1NC2=C(N=CC(=O)N2C)C(N)=N1 | InChi: | InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14) | Definition date: | 2022-06-12 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione |
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| 5I0 | Name: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[bis(oxidanyl)methyl]-5-methyl-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium | Formula: | C21 H44 N7 O13 | SMILES: | C[NH2+][CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O[CH](C)[C]2(O)C(O)O)O[CH]3[CH](O)[CH](O)[CH](NC(N)=[NH2+])[CH](O)[CH]3NC(N)=[NH2+] | InChi: | InChI=1S/C21H41N7O13/c1-4-21(37,18(35)36)15(41-16-8(26-2)12(33)9(30)5(3-29)39-16)17(38-4)40-14-7(28-20(24)25)10(31)6(27-19(22)23)11(32)13(14)34/h4-18,26,29-37H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t4-,5-,6+,7-,8-,9-,10+,11-,12-,13+,14+,15-,16-,17-,21+/m0/s1 | Synonyms: | hydrated form of streptomycin | Definition date: | 2021-07-09 | Last modified: | 2022-11-23 | Release date: | 2022-07-27 | Identifier: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[bis(oxidanyl)methyl]-5-methyl-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium |
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| ZRT | Name: | N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | Formula: | C30 H36 N8 O3 | SMILES: | CN(C)Cc1cn(nc1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc1OC)N1CCOCC1 | InChi: | InChI=1S/C30H36N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h6-12,17-18,20H,5,13-16,19H2,1-4H3,(H,32,39)(H,31,33,34) | Synonyms: | lazertinib, bound form | Definition date: | 2022-04-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide |
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| WUW | Name: | (1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane | Formula: | C11 H21 N O4 S | SMILES: | CS(=O)(=O)N1CC(OC)C2CC1CCC2OC | InChi: | InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1 | Definition date: | 2022-10-20 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane |
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| XCK | Name: | N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide | Formula: | C24 H36 N4 O4 S | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C=N | InChi: | InChI=1S/C24H36N4O4S/c1-16(2)12-20(22(30)27-18(14-25)13-17-10-11-26-21(17)29)28-23(31)32-15-24(3,4)33-19-8-6-5-7-9-19/h5-9,14,16-18,20,25H,10-13,15H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)/b25-14-/t17-,18-,20-/m0/s1 | Definition date: | 2022-11-11 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide |
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| XF8 | Name: | (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C28 H42 N4 O9 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)(C(=O)NC1CC1)S(=O)(=O)O | InChi: | InChI=1S/C28H42N4O9S2/c1-17(2)14-21(31-26(36)41-16-27(3,4)42-20-8-6-5-7-9-20)24(34)32-22(15-18-12-13-29-23(18)33)28(37,43(38,39)40)25(35)30-19-10-11-19/h5-9,17-19,21-22,37H,10-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,36)(H,32,34)(H,38,39,40)/t18-,21-,22-,28-/m0/s1 | Definition date: | 2022-11-14 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2S,3S)-1-(cyclopropylamino)-2-hydroxy-3-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butane-2-sulfonic acid |
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| XFF | Name: | (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C24 H37 N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22-/m0/s1 | Definition date: | 2022-11-14 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (1S,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| XFR | Name: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H37 N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22+/m0/s1 | Definition date: | 2022-11-14 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| HNU | Name: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide | Formula: | C10 H17 N3 O3 | SMILES: | CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C | InChi: | InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1 | Definition date: | 2022-02-07 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide |
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| BJ6 | Name: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid | Formula: | C18 H15 N O3 | SMILES: | OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3 | InChi: | InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | Definition date: | 2022-03-29 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid |
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| C9I | Name: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide | Formula: | C23 H23 N5 O3 | SMILES: | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34 | InChi: | InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1 | Definition date: | 2021-12-14 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
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| U9P | Name: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide | Formula: | C23 H26 N8 O2 | SMILES: | CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC | InChi: | InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1 | Definition date: | 2022-08-12 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
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| 9PJ | Name: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile | Formula: | C22 H15 F7 N4 O3 | SMILES: | FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F | InChi: | InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1 | Definition date: | 2021-10-25 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile |
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| 9PS | Name: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol | Formula: | C18 H14 O2 | SMILES: | Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O | InChi: | InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+ | Definition date: | 2021-11-19 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol |
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| 9QI | Name: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile | Formula: | C21 H13 F7 N4 O3 | SMILES: | FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F | InChi: | InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33) | Definition date: | 2021-10-25 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile |
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| 9RJ | Name: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol | Formula: | C18 H14 O2 | SMILES: | Oc1ccc(C=Cc2cccc3ccccc23)cc1O | InChi: | InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+ | Definition date: | 2021-11-19 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol |
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| 9ZL | Name: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | Formula: | C19 H17 Cl F3 N3 O S | SMILES: | CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2 | InChi: | InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25) | Definition date: | 2021-11-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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| A0F | Name: | N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | Formula: | C22 H16 F3 N3 O S | SMILES: | FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(Oc4ccccc4)cc3)ccn1 | InChi: | InChI=1S/C22H16F3N3OS/c23-22(24,25)20-12-16(10-11-26-20)27-13-19-14-28-21(30-19)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,26,27) | Synonyms: | N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine | Definition date: | 2021-11-23 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | ~{N}-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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| 90I | Name: | benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate | Formula: | C29 H36 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4 | InChi: | InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1 | Synonyms: | (phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate | Definition date: | 2021-11-10 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
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| 90X | Name: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide | Formula: | C29 H34 Cl2 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4 | InChi: | InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1 | Synonyms: | (2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide | Definition date: | 2021-11-10 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
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| CI5 | Name: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide | Formula: | C24 H24 N4 O3 | SMILES: | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34 | InChi: | InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1 | Definition date: | 2021-12-14 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
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| 9IR | Name: | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene | Formula: | C10 H16 | SMILES: | CC1=CCC(CC1)C(C)=C | InChi: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 | Synonyms: | R-(+)-limonene | Definition date: | 2021-10-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
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| 9IU | Name: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene | Formula: | C10 H16 | SMILES: | CC1=CCC(CC1)C(C)=C | InChi: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1 | Synonyms: | S-(-)-limonene | Definition date: | 2021-10-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
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| 9IX | Name: | 2-methyl-5-(propan-2-yl)benzene-1,4-diol | Formula: | C10 H14 O2 | SMILES: | CC(C)c1cc(O)c(C)cc1O | InChi: | InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3 | Synonyms: | Thymoquinone | Definition date: | 2021-10-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 2-methyl-5-(propan-2-yl)benzene-1,4-diol |
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