| BRV | Name: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid | Formula: | C8 H4 Br3 N O4 | SMILES: | Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O | InChi: | InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16) | Synonyms: | 5-Amino-2,4,6-tribromoisophthalic acid | Definition date: | 2009-03-30 | Last modified: | 2020-06-17 | Identifier: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid |
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| BZN | Name: | N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide | Formula: | C23 H32 N2 O3 S | SMILES: | O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2 | InChi: | InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1 | Synonyms: | N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide | Definition date: | 2007-12-05 | Last modified: | 2020-06-17 | Identifier: | N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide |
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| BZQ | Name: | DIPHENYLMETHANONE | Formula: | C13 H10 O | SMILES: | O=C(c1ccccc1)c2ccccc2 | InChi: | InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | Synonyms: | BENZENE, BENZOYL- | Definition date: | 2000-03-08 | Last modified: | 2020-06-17 | Identifier: | diphenylmethanone |
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| C1A | Name: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) | Formula: | C14 H22 N8 S2 | SMILES: | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C | InChi: | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | Synonyms: | 4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL
N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | Definition date: | 2005-08-31 | Last modified: | 2020-06-17 | Identifier: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) |
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| JD7 | Name: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile | Formula: | C14 H13 N3 | SMILES: | C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3 | InChi: | InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1 | Synonyms: | fadrozole | Definition date: | 2018-08-30 | Last modified: | 2020-06-17 | Release date: | 2018-11-21 | Identifier: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile |
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| JDR | Name: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide | Formula: | C13 H13 Cl N4 O3 S2 | SMILES: | O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O | InChi: | InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18) | Synonyms: | 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | Definition date: | 2010-03-29 | Last modified: | 2020-06-17 | Identifier: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide |
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| 83A | Name: | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid | Formula: | C20 H22 N6 O6 | SMILES: | c31c(N=C(NC1=O)N)nc(CCNc2ccc(C(=O)NC(C(=O)O)CCC(O)=O)cc2)c3 | InChi: | InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1 | Synonyms: | antifolate AGF183 | Definition date: | 2016-03-28 | Last modified: | 2020-06-17 | Release date: | 2016-08-10 | Identifier: | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid |
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| 86B | Name: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide | Formula: | C12 H20 N2 O4 S | SMILES: | c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O | InChi: | InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | Definition date: | 2017-08-02 | Last modified: | 2020-06-17 | Release date: | 2018-08-01 | Identifier: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide |
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| 8O7 | Name: | N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami
de | Formula: | C22 H24 N4 O3 S2 | SMILES: | C(N)CNS(=O)(c1ccc(cc1)c2ccc(cc2)CSC4=NC=3CCCC=3C(N4)=O)=O | InChi: | InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27) | Synonyms: | N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfon
amide | Definition date: | 2017-02-22 | Last modified: | 2020-06-17 | Release date: | 2017-07-12 | Identifier: | N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfonamide |
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| POT | Name: | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | Formula: | C11 H16 Cl O3 P | SMILES: | ClP(=O)(OC(COc1ccccc1)CC)C | InChi: | InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1 | Synonyms: | (RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE | Definition date: | 2006-11-20 | Last modified: | 2020-06-17 | Identifier: | (1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate |
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| PR1 | Name: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE | Formula: | C19 H19 N5 O4 S2 | SMILES: | O=C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=O)c4sc3cccnc3c4 | InChi: | InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1 | Synonyms: | RPR131247 | Definition date: | 2000-05-22 | Last modified: | 2020-06-17 | Identifier: | 4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide |
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| PVS | Name: | (ethenylsulfonyl)benzene | Formula: | C8 H8 O2 S | SMILES: | ethenyl phenyl sulfone | InChi: | InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2 | Synonyms: | Phenyl Vinyl Sulphone | Definition date: | 2008-07-15 | Last modified: | 2020-06-17 | Identifier: | (ethenylsulfonyl)benzene |
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| PXD | Name: | 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide | Formula: | C16 H14 F5 N5 O5 S | SMILES: | FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2 | InChi: | InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25) | Synonyms: | Penoxsulam | Definition date: | 2014-06-05 | Last modified: | 2020-06-17 | Release date: | 2018-02-14 | Identifier: | 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide |
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| DAI | Name: | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE | Formula: | C24 H25 N O3 | SMILES: | O=C1N(C(=O)C5C1C4c2c(cccc2)C5(c3ccccc34)CO)CCCCC | InChi: | InChI=1S/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3/t19-,20-,21+,24+/m0/s1 | Synonyms: | (11S,12S)-9-HYDROXYMETHYL-11,12-(2-PENTYL-1,3-DIOXO-2-AZAPROPANO)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE | Definition date: | 2005-02-11 | Last modified: | 2020-06-17 | Identifier: | (15S,19S)-1-(hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name) |
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| DIF | Name: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | Formula: | C14 H11 Cl2 N O2 | SMILES: | Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O | InChi: | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | Synonyms: | DICLOFENAC | Definition date: | 2000-01-28 | Last modified: | 2020-06-17 | Identifier: | {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
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| QV7 | Name: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid | Formula: | C22 H16 N4 O13 S4 | SMILES: | O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4 | InChi: | InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+ | Synonyms: | Ponceau S | Definition date: | 2011-03-01 | Last modified: | 2020-06-17 | Identifier: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid |
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| ISZ | Name: | 4-(DIAZENYLCARBONYL)PYRIDINE | Formula: | C6 H5 N3 O | SMILES: | O=C(N=[N@H])c1ccncc1 | InChi: | InChI=1S/C6H5N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4,7H/b9-7+ | Synonyms: | ISONIAZID | Definition date: | 2004-08-17 | Last modified: | 2020-06-17 | Identifier: | 4-[(E)-diazenylcarbonyl]pyridine |
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| RCO | Name: | RESORCINOL | Formula: | C6 H6 O2 | SMILES: | Oc1cccc(O)c1 | InChi: | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H | Synonyms: | 1,3-BENZENEDIOL | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | benzene-1,3-diol |
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| RE2 | Name: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol | Formula: | C14 H14 O3 | SMILES: | Oc1cc(cc(O)c1)CCc2ccc(O)cc2 | InChi: | InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 | Synonyms: | Dihydroresveratrol | Definition date: | 2009-01-19 | Last modified: | 2020-06-17 | Identifier: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol |
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| RE8 | Name: | 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid | Formula: | C20 H14 N2 O4 S | SMILES: | O=S(=O)(O)c4ccc(/N=N/c2c1ccccc1ccc2O)c3ccccc34 | InChi: | InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+ | Synonyms: | Acid red 88 | Definition date: | 2013-03-13 | Last modified: | 2020-06-17 | Release date: | 2014-02-12 | Identifier: | 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid |
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| RNA | Name: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | Formula: | C16 H14 N2 O4 S2 | SMILES: | O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C | InChi: | InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9- | Synonyms: | (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE | Definition date: | 2006-08-02 | Last modified: | 2020-06-17 | Identifier: | 4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide |
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| RO8 | Name: | N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide | Formula: | C10 H7 Br Cl N3 O3 S2 | SMILES: | BrC=2S/C(=NC(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2 | InChi: | InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16) | Synonyms: | RO5062408 | Definition date: | 2011-01-17 | Last modified: | 2020-06-17 | Identifier: | N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide |
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| UUJ | Name: | 5-bromo-2-hydroxybenzonitrile | Formula: | C7 H4 Br N O | SMILES: | c1(cc(c(cc1)O)C#N)Br | InChi: | InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H | Definition date: | 2020-06-02 | Last modified: | 2020-06-12 | Release date: | 2020-06-17 | Identifier: | 5-bromo-2-hydroxybenzonitrile |
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| LCB | Name: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide | Formula: | C13 H14 N6 O2 S | SMILES: | CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3nc[nH]c13 | InChi: | InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19) | Definition date: | 2019-08-05 | Last modified: | 2020-06-12 | Release date: | 2020-06-17 | Identifier: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide |
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| LD5 | Name: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide | Formula: | C13 H12 N6 O2 S | SMILES: | N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1 | InChi: | InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19) | Definition date: | 2019-08-05 | Last modified: | 2020-06-12 | Release date: | 2020-06-17 | Identifier: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide |
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