 | | 2BS | | Name: | ethyl 2-amino-1,3-benzothiazole-6-carboxylate | | Formula: | C10 H10 N2 O2 S | | SMILES: | CCOC(=O)c1ccc2nc(N)sc2c1 | | InChi: | InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12) | | Synonyms: | 2-amino-benzothiazole-6-carboxylic acid ethyl ester | | Definition date: | 2009-11-03 | | Last modified: | 2020-06-17 | | Identifier: | ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate |
|
 | | 2CU | | Name: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | | Formula: | C19 H24 Cl N5 O3 S | | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | | Synonyms: | LY2119620 positive allosteric modulator of M2/M4 receptor | | Definition date: | 2013-09-20 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-27 | | Identifier: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
|
 | | 093 | | Name: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE | | Formula: | C14 H16 Cl N3 O4 S2 | | SMILES: | O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C | | InChi: | InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | | Synonyms: | PIK-93 | | Definition date: | 2006-03-16 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide |
|
 | | SFI | | Name: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid | | Formula: | C20 H17 F O2 S | | SMILES: | O=C(O)CC=2c3cc(F)ccc3C(=C/c1ccc(SC)cc1)C=2C | | InChi: | InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- | | Synonyms: | sulindac sulfide | | Definition date: | 2011-05-19 | | Last modified: | 2020-06-17 | | Identifier: | {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid |
|
 | | O01 | | Name: | [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine | | Formula: | C9 H12 N4 S | | SMILES: | n2c(sc(c1cc(CN)nn1)c2C)C | | InChi: | InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13) | | Synonyms: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine | | Definition date: | 2016-08-25 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-07 | | Identifier: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
|
 | | P4T | | Name: | 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE | | Formula: | C12 H12 N2 O S | | SMILES: | O=C(c1sc(nc1C)Nc2ccccc2)C | | InChi: | InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14) | | Synonyms: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone | | Definition date: | 2007-09-06 | | Last modified: | 2020-06-17 | | Identifier: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
|
 | | P8N | | Name: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6
),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide | | Formula: | C29 H27 Cl N6 O3 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C | | InChi: | InChI=1S/C29H27ClN6O3S/c1-16-17(2)40-29-26(16)27(21-9-11-22(30)12-10-21)32-23(28-34-33-18(3)36(28)29)14-25(38)31-15-20-6-4-19(5-7-20)8-13-24(37)35-39/h4-13,23,39H,14-15H2,1-3H3,(H,31,38)(H,35,37)/b13-8+/t23-/m0/s1 | | Synonyms: | TW22 | | Definition date: | 2020-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-27 | | Identifier: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide |
|
 | | P8T | | Name: | ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t
rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | Formula: | C32 H28 Cl N7 O2 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C | | InChi: | InChI=1S/C32H28ClN7O2S/c1-17-18(2)43-32-28(17)29(20-8-12-22(33)13-9-20)36-26(30-39-38-19(3)40(30)32)16-27(41)35-23-14-10-21(11-15-23)31(42)37-25-7-5-4-6-24(25)34/h4-15,26H,16,34H2,1-3H3,(H,35,41)(H,37,42)/t26-/m0/s1 | | Synonyms: | TW9 | | Definition date: | 2020-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-06 | | Identifier: | ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide |
|
 | | AIH | | Name: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL | | Formula: | C28 H31 N O4 S | | SMILES: | O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CC(C)C(C)C3)cc4)cc(O)cc5 | | InChi: | InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27-,28+/m0/s1 | | Synonyms: | COMPOUND 15 | | Definition date: | 2004-10-12 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol |
|
 | | AIJ | | Name: | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL | | Formula: | C27 H29 N O4 S | | SMILES: | O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCC(N3CCCC3)C)cc4)cc(O)cc5 | | InChi: | InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26-,27+/m0/s1 | | Synonyms: | COMPOUND 18 | | Definition date: | 2004-10-12 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2S)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol |
|
 | | D76 | | Name: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ
INE-2-CARBOXAMIDE | | Formula: | C23 H24 Cl N5 O4 S2 | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)N)N(C(=O)c3nc4c(s3)CN(CC4)C)CC5 | | InChi: | InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1 | | Synonyms: | 1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL]
CARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE | | Definition date: | 2003-11-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide |
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 | | DH4 | | Name: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H25 N3 O3 S | | SMILES: | O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O | | InChi: | InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1 | | Synonyms: | Mecillinam, bound form | | Definition date: | 2010-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
|
 | | T5X | | Name: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia
zol-3-ium-2-yl}-5-O-phosphono-D-xylitol | | Formula: | C17 H30 N4 O15 P3 S | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | | InChi: | InChI=1S/C17H29N4O15P3S/c1-9-13(3-4-34-39(32,33)36-38(29,30)31)40-16(21(9)6-11-5-19-10(2)20-15(11)18)17(25,8-22)14(24)12(23)7-35-37(26,27)28/h5,12,14,22-25H,3-4,6-8H2,1-2H3,(H6-,18,19,20,26,27,28,29,30,31,32,33)/p+1/t12-,14+,17+/m1/s1 | | Synonyms: | D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | | Definition date: | 2007-10-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-5-O-phosphono-D-xylitol |
|
 | | TDM | | Name: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL
TRIHYDROGEN DIPHOSPHATE | | Formula: | C14 H22 N4 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)C)N(C=1C)Cc2cnc(nc2N)C | | InChi: | InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/b14-9+ | | Synonyms: | 2-HYDROXYETHYLTHIAMIN DIPHOSPHATE | | Definition date: | 2005-12-01 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate |
|
 | | BFT | | Name: | S-BENZOYLTHIAMINE O-MONOPHOSPHATE | | Formula: | C19 H25 N4 O6 P S | | SMILES: | O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C | | InChi: | InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1 | | Synonyms: | BENFOTIAMINE | | Definition date: | 2006-07-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol |
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 | | TLM | | Name: | THIOLACTOMYCIN | | Formula: | C11 H14 O2 S | | SMILES: | O=C1SC(/C=C(/C=C)C)(C(O)=C1C)C | | InChi: | InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1 | | Synonyms: | 4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE | | Definition date: | 2000-08-14 | | Last modified: | 2020-06-17 | | Identifier: | (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one |
|
 | | TOG | | Name: | 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3
-ium-2-yl]-4-oxidanyl-butanoic acid | | Formula: | C16 H24 N4 O10 P2 S | | SMILES: | Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C-](O)CCC(O)=O)c(N)n1 | | InChi: | InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26) | | Synonyms: | ThDP and decarboxylated 2-oxoglutarate adduct, covalent intermediate I, carboanion form | | Definition date: | 2015-11-17 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-22 | | Identifier: | 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid |
|
 | | TOI | | Name: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl
(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid
anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid | | Formula: | C26 H35 N4 O16 P2 S | | SMILES: | CC1=NC(=N)C(=CN1)C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CCC(O)=O)[CH]3C=C[CH](OC(=C)C(O)=O)[CH](O)[CH]3C(O)=O | | InChi: | InChI=1S/C26H34N4O16P2S/c1-12-18(7-9-44-48(42,43)46-47(39,40)41)49-25(30(12)11-15-10-28-14(3)29-22(15)27)26(38,8-6-19(31)32)16-4-5-17(45-13(2)23(34)35)21(33)20(16)24(36)37/h4-5,10,16-17,20-21,33,38H,2,6-9,11H2,1,3H3,(H7-,27,28,29,31,32,34,35,36,37,39,40,41,42,43)/p+1/t16-,17-,20+,21+,26-/m0/s1 | | Synonyms: | ThDP, decarboxylated 2-oxoglutarate and isochorismate adduct, covalent intermediate II | | Definition date: | 2015-11-17 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-22 | | Identifier: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid |
|
 | | HAG | | Name: | 4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL | | Formula: | C19 H33 N3 O8 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC | | InChi: | InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1 | | Synonyms: | GSHNA | | Definition date: | 1999-07-27 | | Last modified: | 2020-06-17 | | Identifier: | L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine |
|
 | | HGD | | Name: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) | | Formula: | C20 H32 Hg N6 O12 S2 | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N | | InChi: | InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16 | | Synonyms: | S-Mercury glutathione | | Definition date: | 2013-10-31 | | Last modified: | 2020-06-17 | | Release date: | 2014-03-19 | | Identifier: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) |
|
 | | 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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 | | UDR | | Name: | (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy
lbenzothioate | | Formula: | C27 H29 N3 O5 S | | SMILES: | O=C(SC)c1c(OC)c(cc(c1)C(c3cc2c(OC(=O)N2C)c(c3)C)=C/CCCc4nnc(o4)C)C | | InChi: | InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+ | | Synonyms: | S-methyl
5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox
y-3-methylbenzenecarbothioate | | Definition date: | 2009-08-25 | | Last modified: | 2020-06-17 | | Identifier: | S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methoxy-3-methylbenzenecarbothioate |
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 | | VA1 | | Name: | {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID | | Formula: | C11 H10 B N O4 S | | SMILES: | O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2 | | InChi: | InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2 | | Synonyms: | 5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID | | Definition date: | 2006-09-01 | | Last modified: | 2020-06-17 | | Identifier: | {5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid |
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 | | UX7 | | Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide | | Formula: | C12 H12 N2 O2 S | | SMILES: | N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3 | | InChi: | InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15) | | Definition date: | 2020-06-03 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide |
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 | | QDA | | Name: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine | | Formula: | C15 H23 N5 O2 S | | SMILES: | c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC | | InChi: | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | | Definition date: | 2019-10-16 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine |
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