 | | VQL | | Name: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine | | Formula: | C8 H9 N5 S2 | | SMILES: | Cc1nc(cs1)c1nc(SC)nc(N)n1 | | InChi: | InChI=1S/C8H9N5S2/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine |
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 | | UV9 | | Name: | 1-amino-4,4-dimethylcyclohexane-1-carboxamide | | Formula: | C9 H18 N2 O | | SMILES: | O=C(N)C1(N)CCC(C)(C)CC1 | | InChi: | InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12) | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-amino-4,4-dimethylcyclohexane-1-carboxamide |
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 | | VBO | | Name: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate | | Formula: | C8 H10 N2 O4 | | SMILES: | O=C(CCN1C=CC(=O)NC1=O)OC | | InChi: | InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate |
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 | | VBT | | Name: | 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid | | Formula: | C6 H2 Cl2 F N O2 | | SMILES: | OC(=O)c1cc(F)c(Cl)nc1Cl | | InChi: | InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12) | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid |
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 | | VQU | | Name: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid | | Formula: | C9 H10 N2 O2 S | | SMILES: | OC(=O)C1NC(SC1)c1cnccc1 | | InChi: | InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid |
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 | | VQZ | | Name: | N-[2-(aminomethyl)phenyl]methanesulfonamide | | Formula: | C8 H12 N2 O2 S | | SMILES: | O=S(C)(=O)Nc1ccccc1CN | | InChi: | InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[2-(aminomethyl)phenyl]methanesulfonamide |
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 | | UVO | | Name: | 5-methoxy-2-nitrosophenol | | Formula: | C7 H7 N O3 | | SMILES: | O=Nc1ccc(cc1O)OC | | InChi: | InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3 | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 5-methoxy-2-nitrosophenol |
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 | | W8B | | Name: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one | | Formula: | C8 H10 Cl N3 O2 | | SMILES: | ClC1=C(C=NNC1=O)N1CCOCC1 | | InChi: | InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one |
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 | | VR6 | | Name: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine | | Formula: | C12 H14 N2 O2 | | SMILES: | C(CNCc1ccco1)Oc1ccccn1 | | InChi: | InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine |
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 | | VCB | | Name: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid | | Formula: | C22 H15 N O4 | | SMILES: | OC(=O)[CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4 | | InChi: | InChI=1S/C22H15NO4/c24-20-15-10-5-4-9-14(15)18-16(20)11-6-12-17(18)21(25)23-19(22(26)27)13-7-2-1-3-8-13/h1-12,19H,(H,23,25)(H,26,27)/t19-/m1/s1 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid |
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 | | W8K | | Name: | N-[(3-bromophenyl)methyl]acetamide | | Formula: | C9 H10 Br N O | | SMILES: | Brc1cc(CNC(C)=O)ccc1 | | InChi: | InChI=1S/C9H10BrNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(3-bromophenyl)methyl]acetamide |
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 | | VRC | | Name: | (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one | | Formula: | C7 H8 N2 O3 | | SMILES: | O=N(=O)C1C=CC(=O)C(CN)=C1 | | InChi: | InChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,6H,4,8H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one |
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 | | VRH | | Name: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide | | Formula: | C11 H15 N O4 | | SMILES: | COc1cc(C)ccc1OCC(=O)NOC | | InChi: | InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide |
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 | | UW6 | | Name: | 5-methylpyridazin-3(2H)-one | | Formula: | C5 H6 N2 O | | SMILES: | O=C1C=C(C)C=NN1 | | InChi: | InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8) | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 5-methylpyridazin-3(2H)-one |
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 | | VRL | | Name: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate | | Formula: | C11 H13 N O3 | | SMILES: | O=C(OC)C1NCCc2cc(O)ccc12 | | InChi: | InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
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 | | VCN | | Name: | ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide | | Formula: | C18 H17 N O2 | | SMILES: | CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide |
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 | | W8W | | Name: | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione | | Formula: | C5 H5 Br N2 O2 | | SMILES: | O=C1NC(=O)N(C)C=C1Br | | InChi: | InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione |
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 | | VCO | | Name: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate | | Formula: | C11 H16 N2 O2 | | SMILES: | O=C(OCC)C(C#N)=C1CCCCCN1 | | InChi: | InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9- | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate |
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 | | VCQ | | Name: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid | | Formula: | C13 H16 O3 | | SMILES: | OC(=O)[C](O)(C1CCCC1)c2ccccc2 | | InChi: | InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid |
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 | | VCT | | Name: | ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide | | Formula: | C16 H13 N O2 | | SMILES: | CN(C)C(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C16H13NO2/c1-17(2)16(19)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)18/h3-9H,1-2H3 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide |
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 | | VRR | | Name: | ethyl N-benzyl-beta-alaninate | | Formula: | C12 H17 N O2 | | SMILES: | O=C(OCC)CCNCc1ccccc1 | | InChi: | InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl N-benzyl-beta-alaninate |
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 | | W93 | | Name: | (2R)-2-amino-2-(3-methoxyphenyl)ethan-1-ol | | Formula: | C9 H13 N O2 | | SMILES: | COc1cc(ccc1)C(N)CO | | InChi: | InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-2-amino-2-(3-methoxyphenyl)ethan-1-ol |
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 | | VCX | | Name: | methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate | | Formula: | C6 H7 Br N2 O2 | | SMILES: | Brc1c(C)[NH]nc1C(=O)OC | | InChi: | InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate |
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 | | VRY | | Name: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole | | Formula: | C10 H10 Cl N3 O | | SMILES: | COc1cc(Cl)c(Cn2cncn2)cc1 | | InChi: | InChI=1S/C10H10ClN3O/c1-15-9-3-2-8(10(11)4-9)5-14-7-12-6-13-14/h2-4,6-7H,5H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole |
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 | | W98 | | Name: | N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide | | Formula: | C9 H13 N O2 S2 | | SMILES: | O=S(C)(=O)N(Cc1cccs1)C1CC1 | | InChi: | InChI=1S/C9H13NO2S2/c1-14(11,12)10(8-4-5-8)7-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide |
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