 | | UTN | | 表記: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile | | 組成式: | C20 H14 F3 N3 O4 | | SMILES: | COc1cc(C#N)c(Oc2ccccc2C)cc1N3C(=O)NC(=CC3=O)C(F)(F)F | | InChi: | InChI=1S/C20H14F3N3O4/c1-11-5-3-4-6-14(11)30-15-8-13(16(29-2)7-12(15)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28) | | 別名: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile | | 定義日: | 2021-03-17 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | VP3 | | 表記: | 4-(4-fluorophenyl)-4-oxobutanoic acid | | 組成式: | C10 H9 F O3 | | SMILES: | O=C(CCC(=O)O)c1ccc(F)cc1 | | InChi: | InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 4-(4-fluorophenyl)-4-oxobutanoic acid |
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 | | UTQ | | 表記: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione | | 組成式: | C13 H10 Cl F3 N2 O4 | | SMILES: | COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F | | InChi: | InChI=1S/C13H10ClF3N2O4/c1-22-8-4-9(23-2)7(3-6(8)14)19-11(20)5-10(13(15,16)17)18-12(19)21/h3-5H,1-2H3,(H,18,21) | | 別名: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione | | 定義日: | 2021-03-17 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione |
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 | | W6H | | 表記: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate | | 組成式: | C11 H13 N O3 S | | SMILES: | O=C(/C=C/c1ccsc1)N(C)CC(=O)OC | | InChi: | InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+ | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate |
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 | | UTT | | 表記: | 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | 組成式: | C17 H14 Cl F2 N5 O | | SMILES: | CCCC1=CC(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2N1 | | InChi: | InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24) | | 別名: | 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | 定義日: | 2021-03-17 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | W6L | | 表記: | (3R)-3-amino-3-phenylpropanenitrile | | 組成式: | C9 H10 N2 | | SMILES: | NC(CC#N)c1ccccc1 | | InChi: | InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1 | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | (3R)-3-amino-3-phenylpropanenitrile |
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 | | W6R | | 表記: | N-[(thiophen-2-yl)methyl]butanamide | | 組成式: | C9 H13 N O S | | SMILES: | O=C(NCc1cccs1)CCC | | InChi: | InChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11) | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | N-[(thiophen-2-yl)methyl]butanamide |
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 | | UU2 | | 表記: | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | 組成式: | C25 H16 F3 N3 O3 | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)c4ccccc4)c(F)cc2C#N | | InChi: | InChI=1S/C25H16F3N3O3/c1-15-7-5-6-10-20(15)34-21-12-19(18(26)11-16(21)14-29)31-23(32)13-22(30-24(31)33)25(27,28)17-8-3-2-4-9-17/h2-13H,1H3,(H,30,33) | | 別名: | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | 定義日: | 2021-03-19 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | VPE | | 表記: | (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid | | 組成式: | C9 H12 N2 O3 S | | SMILES: | O=C(CC(C)CC(=O)O)Nc1nccs1 | | InChi: | InChI=1S/C9H12N2O3S/c1-6(5-8(13)14)4-7(12)11-9-10-2-3-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)(H,10,11,12)/t6-/m0/s1 | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid |
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 | | W6W | | 表記: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide | | 組成式: | C11 H15 Br N2 O | | SMILES: | Brc1ccccc1CN(C)CCC(N)=O | | InChi: | InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15) | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide |
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 | | UU8 | | 表記: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | 組成式: | C24 H16 F N3 O5 S | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc2C#N | | InChi: | InChI=1S/C24H16FN3O5S/c1-15-7-5-6-10-20(15)33-21-12-19(18(25)11-16(21)14-26)28-23(29)13-22(27-24(28)30)34(31,32)17-8-3-2-4-9-17/h2-13H,1H3,(H,27,30) | | 別名: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | 定義日: | 2021-03-19 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | VPK | | 表記: | ethyl pyridin-3-ylcarbamate | | 組成式: | C8 H10 N2 O2 | | SMILES: | O=C(OCC)Nc1cccnc1 | | InChi: | InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11) | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | ethyl pyridin-3-ylcarbamate |
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 | | WOR | | 表記: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide | | 組成式: | C11 H18 N2 O3 S | | SMILES: | Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C | | InChi: | InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3 | | 定義日: | 2022-10-06 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
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 | | VAV | | 表記: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | | 組成式: | C5 H5 B F3 N2 O2 | | SMILES: | Cn1nc(cc1[B](O)=O)C(F)(F)F | | InChi: | InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3 | | 定義日: | 2022-08-29 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron |
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 | | UUQ | | 表記: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile | | 組成式: | C23 H14 F3 N3 O3 | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N | | InChi: | InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31) | | 別名: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile | | 定義日: | 2021-03-21 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
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 | | VQ2 | | 表記: | [4-(diethylcarbamoyl)phenyl]boronic acid | | 組成式: | C11 H16 B N O3 | | SMILES: | O=C(N(CC)CC)c1ccc(cc1)B(O)O | | InChi: | InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3 | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | [4-(diethylcarbamoyl)phenyl]boronic acid |
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 | | VQ6 | | 表記: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid | | 組成式: | C11 H11 F2 N O2 | | SMILES: | OC(=O)C(NC1CC1)c1c(F)cccc1F | | InChi: | InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1 | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
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 | | VB9 | | 表記: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one | | 組成式: | C10 H13 N3 O S2 | | SMILES: | CN(C)CCN1C(=O)c2sccc2NC1=S | | InChi: | InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15) | | 定義日: | 2022-08-29 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
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 | | VQB | | 表記: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine | | 組成式: | C8 H11 Cl N4 | | SMILES: | Nc1c(ncnc1Cl)N1CCCC1 | | InChi: | InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2 | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine |
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 | | UUZ | | 表記: | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione | | 組成式: | C22 H14 Cl F3 N2 O3 | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccc4c2Cl | | InChi: | InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-10H,11H2,1H3 | | 定義日: | 2021-03-22 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione |
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 | | VQF | | 表記: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione | | 組成式: | C9 H15 N3 O2 | | SMILES: | CN1C(=O)C(CCC)C(=N)N(C)C1=O | | InChi: | InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1 | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
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 | | UV5 | | 表記: | 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide | | 組成式: | C19 H13 F3 N6 O3 | | SMILES: | CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F | | InChi: | InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30) | | 定義日: | 2021-03-22 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide |
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 | | VBI | | 表記: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide | | 組成式: | C10 H13 Cl N2 O3 S | | SMILES: | Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O | | InChi: | InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14) | | 定義日: | 2022-08-29 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide |
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 | | W7T | | 表記: | N-(2-aminoethyl)-2-cyclohexylacetamide | | 組成式: | C10 H20 N2 O | | SMILES: | O=C(CC1CCCCC1)NCCN | | InChi: | InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(H,12,13) | | 定義日: | 2022-09-02 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | N-(2-aminoethyl)-2-cyclohexylacetamide |
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 | | VBK | | 表記: | [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | | 組成式: | C8 H11 N O S | | SMILES: | NC[CH]1OCCc2sccc12 | | InChi: | InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1 | | 別名: | 4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine | | 定義日: | 2021-05-05 | | 最終更新日: | 2022-10-28 | | 公開日: | 2022-11-02 | | 識別子（ID）: | [(4~{S})-6,7-dihydro-4~{H}-thieno[3,2-c]pyran-4-yl]methanamine |
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