 | | AL6 | | Name: | 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE | | Formula: | C13 H12 N2 O5 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N | | InChi: | InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17) | | Synonyms: | AL6528 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-(3-methoxyphenyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | AQJ | | Name: | (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | | Formula: | C28 H47 N O8 | | SMILES: | C1(OC(C(C)C(C(C)C(C(C)CC(C(C=CC1(C)O)=O)C)OC2C(C(CC(C)O2)N(C)C)O)=O)=O)CC | | InChi: | InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1 | | Synonyms: | Pikromycin | | Definition date: | 2017-07-24 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-14 | | Identifier: | (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
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 | | HC4 | | Name: | 4'-HYDROXYCINNAMIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccc(O)cc1 | | InChi: | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | | Synonyms: | PARA-COUMARIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
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 | | 2ED | | Name: | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide | | Formula: | C20 H39 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C | | InChi: | InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1 | | Synonyms: | C2-ceramide | | Definition date: | 2009-01-26 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide |
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 | | 2F0 | | Name: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide | | Formula: | C19 H21 Cl N4 O3 | | SMILES: | O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N | | InChi: | InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+ | | Synonyms: | P32 | | Definition date: | 2013-10-03 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide |
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 | | 2L4 | | Name: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol | | Formula: | C11 H16 N4 O7 | | SMILES: | O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1 | | InChi: | InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1 | | Synonyms: | 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil | | Definition date: | 2013-11-25 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-16 | | Identifier: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol |
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 | | 2LJ | | Name: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol | | Formula: | C12 H20 N4 O6 | | SMILES: | C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O | | InChi: | InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1 | | Synonyms: | 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | | Definition date: | 2013-11-27 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-16 | | Identifier: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol |
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 | | FVX | | Name: | Fluvoxamine | | Formula: | C15 H21 F3 N2 O2 | | SMILES: | FC(F)(F)c1ccc(C(=NOCCN)CCCCOC)cc1 | | InChi: | InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | | Synonyms: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine | | Definition date: | 2012-04-23 | | Last modified: | 2021-03-01 | | Identifier: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine |
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 | | ERT | | Name: | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE | | Formula: | C31 H37 N O11 | | SMILES: | O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C(C(=O)OC)C(O)(CC5OC4OC(C(O)C(N(C)C)C4)C)CC | | InChi: | InChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17-,18-,24-,25+,31+/m0/s1 | | Synonyms: | 4-METHOXY-E-RHODOMYCIN T | | Definition date: | 2004-07-06 | | Last modified: | 2021-03-01 | | Identifier: | methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
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 | | F18 | | Name: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL | | Formula: | C9 H10 N6 O | | SMILES: | N(=Nc1c(nnc1N)N)c2ccc(O)cc2 | | InChi: | InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12- | | Synonyms: | CAN508 | | Definition date: | 2006-05-02 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
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 | | I12 | | Name: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Formula: | C30 H46 N6 O8 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC(C)C)C(C)C)C)c2noc(c2)C | | InChi: | InChI=1S/C30H46N6O8/c1-8-43-24(37)10-9-21(15-20-11-12-31-27(20)39)33-28(40)22(13-16(2)3)34-30(42)25(17(4)5)35-26(38)19(7)32-29(41)23-14-18(6)44-36-23/h9-10,14,16-17,19-22,25H,8,11-13,15H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)/b10-9+/t19-,20-,21+,22-,25-/m0/s1 | | Synonyms: | (E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER | | Definition date: | 2004-08-30 | | Last modified: | 2021-03-01 | | Identifier: | N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide |
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 | | ID3 | | Name: | (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one | | Formula: | C13 H20 O | | SMILES: | O=C(C=CC1=C(C)CCCC1(C)C)C | | InChi: | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ | | Synonyms: | beta-ionone | | Definition date: | 2010-10-12 | | Last modified: | 2021-03-01 | | Identifier: | (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one |
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 | | 4DW | | Name: | N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid | | Formula: | C20 H19 N5 O6 | | SMILES: | c1(ccc(cc1)C(=O)NC(C(O)=O)[C@H]=[C@H]C(=O)O)CCc2c3c(nc2)NC(=NC3=O)N | | InChi: | InChI=1S/C20H19N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,7-9,13H,3,6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/b8-7+/t13-/m0/s1 | | Synonyms: | pemetrexed | | Definition date: | 2015-03-05 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-16 | | Identifier: | (2E,4S)-4-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pent-2-enedioic acid |
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 | | 4FE | | Name: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid | | Formula: | C10 H10 O4 | | SMILES: | O=C(O)C=Cc1ccc(OC)c(O)c1 | | InChi: | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | | Synonyms: | 3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPENOIC ACID | | Definition date: | 2008-02-25 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
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 | | 4M2 | | Name: | 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine | | Formula: | C37 H50 N6 O14 | | SMILES: | c12ncnc(c1ncn2C6C(C(NC(C(=[C@H]c5ccc(OC4OC(=C(/COC3C(C(OC)C(C(O3)C)OC)O)OC)/C(O)C4O)cc5)C)=O)C(O6)CO)O)N(C)C | | InChi: | InChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-/t18-,21-,23-,25-,26+,27+,28+,29-,31-,35-,36+,37+/m1/s1 | | Synonyms: | A201A | | Definition date: | 2015-04-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-03 | | Identifier: | 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine |
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 | | IMG | | Name: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL | | Formula: | C11 H15 N5 O4 | | SMILES: | O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N | | InChi: | InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 | | Synonyms: | IMMUCILLIN-G | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | IQB | | Name: | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE | | Formula: | C20 H20 Br N3 O2 S | | SMILES: | Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3 | | InChi: | InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | | Synonyms: | H-89 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide |
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 | | ITQ | | Name: | 1,2,3,4-Tetrahydrogen Staurosporine | | Formula: | C28 H28 N4 O3 | | SMILES: | O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 | | InChi: | InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1 | | Synonyms: | Staurosporine Analogue - AFN941 | | Definition date: | 2013-03-14 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-27 | | Identifier: | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
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 | | D7P | | Name: | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE | | Formula: | C15 H25 N7 O4 | | SMILES: | O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O | | InChi: | InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 | | Synonyms: | D-PHENYLALANINE-D-NITROARGININE AMIDE | | Definition date: | 2003-12-18 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide |
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 | | DD6 | | Name: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol | | Formula: | C40 H54 O3 | | SMILES: | CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C | | InChi: | InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | | Synonyms: | Diadinoxanthin | | Definition date: | 2018-10-17 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol |
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 | | DGB | | Name: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | | Formula: | C24 H29 N3 O2 | | SMILES: | O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3 | | InChi: | InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ | | Synonyms: | FK-866 | | Definition date: | 2006-03-09 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
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 | | DIR | | Name: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE | | Formula: | C4 H10 N4 O3 | | SMILES: | O=C(O)C(N)CNC(=NO)N | | InChi: | InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1 | | Synonyms: | DINOR-N(OMEGA)-HYDROXY-L-ARGININE | | Definition date: | 2004-05-20 | | Last modified: | 2021-03-01 | | Identifier: | 3-(N''-hydroxycarbamimidamido)-L-alanine |
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 | | AZ9 | | Name: | 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione | | Formula: | C6 H5 N5 O2 | | SMILES: | c21nncnc1C(N(C)C(N2)=O)=O | | InChi: | InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13) | | Synonyms: | 1-demethyltoxoflavin | | Definition date: | 2016-04-18 | | Last modified: | 2021-03-01 | | Release date: | 2016-05-04 | | Identifier: | 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
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 | | AZG | | Name: | 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL | | Formula: | C4 H4 N6 O | | SMILES: | n1c(O)c2c(nc1N)nnn2 | | InChi: | InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11) | | Synonyms: | 8-AZAGUANINE | | Definition date: | 2003-11-10 | | Last modified: | 2021-03-01 | | Identifier: | 5-amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
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 | | AZO | | Name: | METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE | | Formula: | C22 H17 N3 O5 | | SMILES: | O=C(OC)C(=COC)c3ccccc3Oc2ncnc(Oc1c(C#N)cccc1)c2 | | InChi: | InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ | | Synonyms: | AZOXYSTROBIN | | Definition date: | 2004-03-28 | | Last modified: | 2021-03-01 | | Identifier: | methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate |
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