 | | VAV | | Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | | Formula: | 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 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron |
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 | | VPK | | Name: | ethyl pyridin-3-ylcarbamate | | Formula: | 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) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl pyridin-3-ylcarbamate |
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 | | UUQ | | Name: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile | | Formula: | 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) | | Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile | | Definition date: | 2021-03-21 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
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 | | W5U | | Name: | N-[2-(dimethylamino)ethyl]-4-fluorobenzamide | | Formula: | C11 H15 F N2 O | | SMILES: | O=C(NCCN(C)C)c1ccc(F)cc1 | | InChi: | InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[2-(dimethylamino)ethyl]-4-fluorobenzamide |
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 | | W5Z | | Name: | 3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide | | Formula: | C12 H12 F N3 O | | SMILES: | Fc1cccc(c1)C(=O)NCCn1ccnc1 | | InChi: | InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide |
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 | | U39 | | Name: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide | | Formula: | C18 H20 N2 O4 S | | SMILES: | O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1 | | InChi: | InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21) | | Definition date: | 2022-08-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide |
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 | | W63 | | Name: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide | | Formula: | C11 H14 Cl N O2 S | | SMILES: | Clc1cc(NC(=O)C(C)SCCO)ccc1 | | InChi: | InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide |
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 | | UUZ | | Name: | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione | | Formula: | 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 | | Definition date: | 2021-03-22 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione |
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 | | VPW | | Name: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine | | Formula: | C11 H12 Cl N | | SMILES: | Clc1ccc(cc1)C1=CCNCC1 | | InChi: | InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine |
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 | | VB9 | | Name: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one | | Formula: | 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) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
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 | | UV5 | | Name: | 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 | | Formula: | 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) | | Definition date: | 2021-03-22 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 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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 | | VQ2 | | Name: | [4-(diethylcarbamoyl)phenyl]boronic acid | | Formula: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [4-(diethylcarbamoyl)phenyl]boronic acid |
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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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 | | W6C | | Name: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide | | Formula: | C10 H17 N3 O3 | | SMILES: | O=C(NC(C)COC)C=1CCC(=O)N(C)N=1 | | InChi: | InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide |
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 | | VQ6 | | Name: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid | | Formula: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
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 | | VBI | | Name: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide | | Formula: | 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) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide |
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 | | W6H | | Name: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate | | Formula: | 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+ | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate |
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 | | VBK | | Name: | [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | | Formula: | 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 | | Synonyms: | 4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [(4~{S})-6,7-dihydro-4~{H}-thieno[3,2-c]pyran-4-yl]methanamine |
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 | | VQB | | Name: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine | | Formula: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine |
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 | | W6L | | Name: | (3R)-3-amino-3-phenylpropanenitrile | | Formula: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3R)-3-amino-3-phenylpropanenitrile |
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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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 | | VBQ | | Name: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid | | Formula: | C16 H11 N O4 | | SMILES: | OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19) | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid |
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 | | VQF | | Name: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione | | Formula: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
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 | | W6R | | Name: | N-[(thiophen-2-yl)methyl]butanamide | | Formula: | 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) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(thiophen-2-yl)methyl]butanamide |
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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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