| RDZ | Name: | Geranyl phosphate | Formula: | C10 H19 O4 P | SMILES: | CC(C)=CCCC(C)=CCO[P](O)(O)=O | InChi: | InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+ | Synonyms: | [(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate | Definition date: | 2020-09-28 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate |
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| 0UD | Name: | N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea | Formula: | C16 H26 N4 O | SMILES: | O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC | InChi: | InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21) | Definition date: | 2021-06-15 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea |
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| 10I | Name: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea | Formula: | C15 H24 N4 O | SMILES: | O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC | InChi: | InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20) | Definition date: | 2021-06-21 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea |
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| 17I | Name: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea | Formula: | C13 H20 N4 O | SMILES: | O=C(Nc1c(cccc1CC)CC)NC(=N)NC | InChi: | InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18) | Definition date: | 2021-06-21 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea |
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| H5C | Name: | 9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione | Formula: | C11 H14 N4 O6 | SMILES: | CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23 | InChi: | InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-11-12 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione |
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| H5F | Name: | 6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one | Formula: | C10 H13 N5 O5 | SMILES: | NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1 | InChi: | InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2020-11-12 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-2-one |
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| H93 | Name: | 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one | Formula: | C11 H15 N5 O5 | SMILES: | CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N | InChi: | InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-11-30 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one |
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| HD3 | Name: | 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one | Formula: | C11 H14 N4 O5 | SMILES: | NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O | InChi: | InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1 | Definition date: | 2020-12-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-azanyl-7-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-pyrrolo[2,3-d]pyrimidin-4-one |
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| HD9 | Name: | (2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | Formula: | C11 H15 N5 O5 | SMILES: | COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O | InChi: | InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-12-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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| HOR | Name: | 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile | Formula: | C21 H22 Cl N3 O | SMILES: | N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N | InChi: | InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1 | Synonyms: | SAR7334 | Definition date: | 2021-01-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 4-[[(1~{R},2~{R})-2-[(3~{R})-3-azanylpiperidin-1-yl]-2,3-dihydro-1~{H}-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile |
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| HR3 | Name: | 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C15 H14 N2 O5 | SMILES: | COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1 | InChi: | InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(4-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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| HR9 | Name: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid | Formula: | C17 H18 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1 | InChi: | InChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid |
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| HRF | Name: | 5-(benzylamino)pyridine-2,4-dicarboxylic acid | Formula: | C14 H12 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1 | InChi: | InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid |
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| HRL | Name: | 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C15 H14 N2 O5 | SMILES: | COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O | InChi: | InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-9(13)7-16-12-8-17-11(15(20)21)6-10(12)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(2-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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| HRR | Name: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C17 H16 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1 | InChi: | InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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| 08G | Name: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea | Formula: | C16 H17 N5 O2 | SMILES: | C[CH](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3 | InChi: | InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m0/s1 | Definition date: | 2021-06-01 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 1-[4-(hydroxymethyl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1~{S})-1-phenylethyl]urea |
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| 5II | Name: | methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside | Formula: | C8 H16 O5 | SMILES: | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C | InChi: | InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1 | Definition date: | 2021-08-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol |
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| 6WI | Name: | 3-(guanosine-5'-diphospho)-D-glycerate | Formula: | C13 H19 N5 O14 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)C(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C13H19N5O14P2/c14-13-16-9-6(10(22)17-13)15-3-18(9)11-8(21)7(20)5(31-11)2-30-34(27,28)32-33(25,26)29-1-4(19)12(23)24/h3-5,7-8,11,19-21H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H3,14,16,17,22)/t4-,5-,7-,8-,11-/m1/s1 | Synonyms: | 3GPPG | Definition date: | 2021-08-04 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propanoic acid |
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| 7II | Name: | Sulfoxaflor | Formula: | C10 H10 F3 N3 O S | SMILES: | C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N | InChi: | InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3/t7-,18+/m0/s1 | Synonyms: | [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide | Definition date: | 2021-08-05 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide |
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| 7JI | Name: | 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione | Formula: | C19 H12 Cl3 N3 O2 S | SMILES: | CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3sc(Cl)nc3)c4cc(Cl)cc(Cl)c4 | InChi: | InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3 | Definition date: | 2021-08-09 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-1-ium-2-olate |
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| 7OB | Name: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate | Formula: | C20 H13 F3 N4 O2 | SMILES: | [O-]C1=C(C(=O)N2C=CC=CC2=[N+]1Cc3cncnc3)c4cccc(c4)C(F)(F)F | InChi: | InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2 | Synonyms: | Triflumezopyrim | Definition date: | 2021-08-10 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate |
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| 7OF | Name: | (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide | Formula: | C13 H9 Cl F3 N3 O | SMILES: | FC(F)(F)C(=O)N=C1C=CC=CN1Cc2ccc(Cl)nc2 | InChi: | InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+ | Definition date: | 2021-08-10 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide |
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| 80P | Name: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | Formula: | C28 H32 F3 N3 O7 | SMILES: | NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F | InChi: | InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1 | Synonyms: | TP-6076 | Definition date: | 2021-08-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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| 81K | Name: | (Z)-hexadec-9-enal | Formula: | C16 H30 O | SMILES: | CCCCCCC=CCCCCCCCC=O | InChi: | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7- | Definition date: | 2021-11-11 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (~{Z})-hexadec-9-enal |
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| 85B | Name: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid | Formula: | C22 H22 F3 N3 O5 | SMILES: | Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O | InChi: | InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30) | Definition date: | 2021-11-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid |
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