 | | 46K | | Name: | N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide | | Formula: | C18 H14 N4 O4 S2 | | SMILES: | O=C(NS(=O)(=O)c1ccc(cc1)NC=C2/C(=O)Nc4c2c3scnc3cc4)C | | InChi: | InChI=1S/C18H14N4O4S2/c1-10(23)22-28(25,26)12-4-2-11(3-5-12)19-8-13-16-14(21-18(13)24)6-7-15-17(16)27-9-20-15/h2-9,19H,1H3,(H,21,24)(H,22,23)/b13-8- | | Definition date: | 2011-07-13 | | Last modified: | 2013-05-03 | | Release date: | 2013-05-08 | | Identifier: | N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide |
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 | | WPI | | Name: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane | | Formula: | C33 H48 N2 O6 | | SMILES: | O(c1cc(cc(OC)c1OC)C=C/CCCN3CCCN(CCCC=Cc2cc(OC)c(OC)c(OC)c2)CC3)C | | InChi: | InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+ | | Definition date: | 2012-05-02 | | Last modified: | 2013-04-26 | | Release date: | 2013-05-01 | | Identifier: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane |
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 | | 1L6 | | Name: | 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one | | Formula: | C23 H28 N6 O2 | | SMILES: | O=C1NCC(=Nc2c(nn(c12)CCO)C(C)(C)CC)c4ccc(n3ccnc3C)cc4 | | InChi: | InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31) | | Definition date: | 2013-03-14 | | Last modified: | 2013-04-26 | | Release date: | 2013-05-01 | | Identifier: | 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one |
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 | | 1MQ | | Name: | (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid | | Formula: | C28 H24 Cl2 F N O4 | | SMILES: | Clc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(/C=C/C)C(=O)O)Cc4ccc(F)cc4 | | InChi: | InChI=1S/C28H24Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h2-15,23-26H,16H2,1H3,(H,34,35)/b3-2+/t23-,24+,25-,26+/m1/s1 | | Definition date: | 2013-04-02 | | Last modified: | 2013-04-26 | | Release date: | 2013-05-01 | | Identifier: | (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid |
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 | | C9M | | Name: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol | | Formula: | C11 H14 O3 | | SMILES: | Oc1ccc(cc1OC)/C=C/COC | | InChi: | InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+ | | Definition date: | 2012-05-02 | | Last modified: | 2013-04-26 | | Release date: | 2013-05-01 | | Identifier: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol |
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 | | 1L7 | | Name: | (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide | | Formula: | C16 H13 N3 O | | SMILES: | N#C/C(C(=O)NCc1ccccc1)=Cc2ccncc2 | | InChi: | InChI=1S/C16H13N3O/c17-11-15(10-13-6-8-18-9-7-13)16(20)19-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,20)/b15-10+ | | Definition date: | 2013-03-14 | | Last modified: | 2013-04-19 | | Release date: | 2013-04-24 | | Identifier: | (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide |
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 | | 15Q | | Name: | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol | | Formula: | C13 H9 Cl F N O3 | | SMILES: | Clc2c(c(O)ccc2c1cc(F)c(O)cc1)C=NO | | InChi: | InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-6,17-19H/b16-6+ | | Definition date: | 2013-01-28 | | Last modified: | 2013-03-22 | | Release date: | 2013-03-27 | | Identifier: | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol |
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 | | FA9 | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | | Formula: | C36 H43 N9 O16 P2 | | SMILES: | O=C4N2c1cc(c(cc1N(C5NC(=O)NC(=O)C25C(c3ccccc3)C4)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O)C)C | | InChi: | InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-24,27-29,32-33,46-47,49-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t19-,22+,23-,24-,27+,28-,29-,32-,33-,36+/m1/s1 | | Definition date: | 2007-03-30 | | Last modified: | 2013-03-19 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | PWZ | | Name: | (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid | | Formula: | C21 H34 O4 | | SMILES: | O=C(O)CCC/C=C/CC2C1OCC(C1)C2/C=C/C(O)CCCCC | | InChi: | InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16-,17+,18+,19-,20-/m1/s1 | | Definition date: | 2013-01-09 | | Last modified: | 2013-03-15 | | Release date: | 2013-03-20 | | Identifier: | (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid |
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 | | 1AK | | Name: | 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile | | Formula: | C25 H16 Cl N7 O3 S | | SMILES: | O=S(=O)(c1ccc(nc1)c3nnc(n3c2ccccc2Cl)C=Cc4nnc(o4)c5ccc(C#N)cc5)C | | InChi: | InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+ | | Definition date: | 2012-11-15 | | Last modified: | 2013-03-15 | | Release date: | 2013-03-20 | | Identifier: | 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile |
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 | | QAP | | Name: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | | Formula: | C17 H16 O4 | | SMILES: | O=C(OCCc1ccccc1)C=Cc2cc(O)c(O)cc2 | | InChi: | InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ | | Definition date: | 2012-01-13 | | Last modified: | 2013-02-08 | | Release date: | 2013-02-08 | | Identifier: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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 | | J94 | | Name: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium | | Formula: | C21 H20 N O6 | | SMILES: | O=C2OC(c3ccc1OCOc1c23)C5c4cc6OCOc6cc4CC[N+]5(C)C | | InChi: | InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18-,19+/m0/s1 | | Definition date: | 2013-01-15 | | Last modified: | 2013-02-01 | | Release date: | 2013-02-01 | | Identifier: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium |
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 | | PVG | | Name: | Phycoviolobilin, green light-absorbing form | | Formula: | C33 H40 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,15,27,35H,7-12,14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,28-15-/t27-/m0/s1 | | Definition date: | 2012-11-12 | | Last modified: | 2013-01-25 | | Release date: | 2013-01-25 | | Identifier: | 3-[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | 10D | | Name: | (2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate | | Formula: | C5 H11 F O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC=C(/C)CF)O | | InChi: | InChI=1S/C5H11FO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+ | | Definition date: | 2012-09-19 | | Last modified: | 2013-01-18 | | Release date: | 2013-01-18 | | Identifier: | (2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate |
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 | | 1BT | | Name: | (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile | | Formula: | C23 H18 N8 S | | SMILES: | N#CC=Cc1cc(c(c(c1)C)Nc3nc2c(ncn2)c(n3)Nc4cc5ncsc5cc4)C | | InChi: | InChI=1S/C23H18N8S/c1-13-8-15(4-3-7-24)9-14(2)19(13)29-23-30-21-20(25-11-26-21)22(31-23)28-16-5-6-18-17(10-16)27-12-32-18/h3-6,8-12H,1-2H3,(H3,25,26,28,29,30,31)/b4-3+ | | Definition date: | 2012-11-28 | | Last modified: | 2013-01-11 | | Release date: | 2013-01-11 | | Identifier: | (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile |
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 | | G73 | | Name: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile | | Formula: | C23 H21 N7 O | | SMILES: | N#CC=Cc1cc(c(c(c1)C)Nc2nc(c3c(n2)ncn3)Nc4ccc(OC)cc4)C | | InChi: | InChI=1S/C23H21N7O/c1-14-11-16(5-4-10-24)12-15(2)19(14)28-23-29-21-20(25-13-26-21)22(30-23)27-17-6-8-18(31-3)9-7-17/h4-9,11-13H,1-3H3,(H3,25,26,27,28,29,30)/b5-4+ | | Definition date: | 2012-11-28 | | Last modified: | 2013-01-11 | | Release date: | 2013-01-11 | | Identifier: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile |
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 | | RJA | | Name: | Ratjadone A, bound form | | Formula: | C28 H44 O6 | | SMILES: | O=C(O)CCCC(O)/C=C/C(=CC(C)CC(=CC=CC(O)C1OC(/C=C/C)C(C(O)C1)C)C)C | | InChi: | InChI=1S/C28H44O6/c1-6-9-26-22(5)25(31)18-27(34-26)24(30)12-7-10-19(2)16-21(4)17-20(3)14-15-23(29)11-8-13-28(32)33/h6-7,9-10,12,14-15,17,21-27,29-31H,8,11,13,16,18H2,1-5H3,(H,32,33)/b9-6+,12-7+,15-14+,19-10+,20-17-/t21-,22+,23-,24-,25-,26+,27-/m1/s1 | | Definition date: | 2012-10-11 | | Last modified: | 2013-01-04 | | Release date: | 2013-01-04 | | Identifier: | (1S,5R)-1,5-anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethylpentadeca-2,4,8,10-tetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol |
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 | | 0U5 | | Name: | (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one | | Formula: | C31 H36 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2c(nc(nc2N)N)CCC)N4N=Cc3ccccc3C4C=C(/C)C | | InChi: | InChI=1S/C31H36N6O3/c1-6-9-25-24(30(32)36-31(33)35-25)16-20-15-21(29(40-5)27(17-20)39-4)12-13-28(38)37-26(14-19(2)3)23-11-8-7-10-22(23)18-34-37/h7-8,10-15,17-18,26H,6,9,16H2,1-5H3,(H4,32,33,35,36)/b13-12+/t26-/m0/s1 | | Definition date: | 2012-06-13 | | Last modified: | 2013-01-04 | | Release date: | 2013-01-04 | | Identifier: | (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | 0U6 | | Name: | (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one | | Formula: | C30 H34 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2c(nc(nc2N)N)CC)N4N=Cc3ccccc3C4C=C(/C)C | | InChi: | InChI=1S/C30H34N6O3/c1-6-24-23(29(31)35-30(32)34-24)15-19-14-20(28(39-5)26(16-19)38-4)11-12-27(37)36-25(13-18(2)3)22-10-8-7-9-21(22)17-33-36/h7-14,16-17,25H,6,15H2,1-5H3,(H4,31,32,34,35)/b12-11+/t25-/m0/s1 | | Definition date: | 2012-06-13 | | Last modified: | 2013-01-04 | | Release date: | 2013-01-04 | | Identifier: | (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | 10E | | Name: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate | | Formula: | C5 H13 N O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC=C(/C)CN)O | | InChi: | InChI=1S/C5H13NO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4,6H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+ | | Definition date: | 2012-09-19 | | Last modified: | 2013-01-04 | | Release date: | 2013-01-04 | | Identifier: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate |
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 | | 10G | | Name: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate | | Formula: | C5 H12 O7 P2 S | | SMILES: | O=P(OP(=O)(OC/C=C(C)CS)O)(O)O | | InChi: | InChI=1S/C5H12O7P2S/c1-5(4-15)2-3-11-14(9,10)12-13(6,7)8/h2,15H,3-4H2,1H3,(H,9,10)(H2,6,7,8)/b5-2+ | | Definition date: | 2012-09-19 | | Last modified: | 2013-01-04 | | Release date: | 2013-01-04 | | Identifier: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate |
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 | | 1BV | | Name: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide | | Formula: | C41 H51 N7 O9 S | | SMILES: | O=C(NC2C=CCC=CCCC6CC6(C(=O)NS(=O)(=O)C1(C)CC1)NC(=O)C5N(C2=O)CC(Oc3c4ccc(OC)c(c4nc(OC(C)C)c3)C)C5)c7nn(cc7)C | | InChi: | InChI=1S/C41H51N7O9S/c1-24(2)56-34-21-33(28-14-15-32(55-6)25(3)35(28)43-34)57-27-20-31-37(50)44-41(39(52)46-58(53,54)40(4)17-18-40)22-26(41)12-10-8-7-9-11-13-30(38(51)48(31)23-27)42-36(49)29-16-19-47(5)45-29/h7-8,11,13-16,19,21,24,26-27,30-31H,9-10,12,17-18,20,22-23H2,1-6H3,(H,42,49)(H,44,50)(H,46,52)/b8-7+,13-11+/t26-,27-,30+,31+,41-/m1/s1 | | Definition date: | 2012-11-28 | | Last modified: | 2012-12-28 | | Release date: | 2012-12-28 | | Identifier: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide |
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 | | 494 | | Name: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H15 Cl2 N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Cl)c3 | | InChi: | InChI=1S/C21H15Cl2N3O4/c22-15-3-4-18(30-17-11-14(2-1-6-24)10-16(23)12-17)19(13-15)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Definition date: | 2012-09-19 | | Last modified: | 2012-11-30 | | Release date: | 2012-11-30 | | Identifier: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | 506 | | Name: | (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile | | Formula: | C21 H15 F2 N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(F)cc2OCCN1C=CC(=O)NC1=O)cc(F)c3 | | InChi: | InChI=1S/C21H15F2N3O4/c22-15-3-4-18(30-17-11-14(2-1-6-24)10-16(23)12-17)19(13-15)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Definition date: | 2012-09-19 | | Last modified: | 2012-11-30 | | Release date: | 2012-11-30 | | Identifier: | (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile |
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 | | 0MZ | | Name: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide | | Formula: | C19 H15 F3 N4 O3 S | | SMILES: | O=C(Nc1cc(ccc1)C(F)(F)F)CC2SC(/N=C2O)=NN=Cc3ccccc3O | | InChi: | InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-5-3-6-13(8-12)24-16(28)9-15-17(29)25-18(30-15)26-23-10-11-4-1-2-7-14(11)27/h1-8,10,15,27H,9H2,(H,24,28)(H,25,26,29)/b23-10+/t15-/m0/s1 | | Definition date: | 2012-03-09 | | Last modified: | 2012-11-09 | | Release date: | 2012-11-09 | | Identifier: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
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