 | | JEV | | Name: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide | | Formula: | C16 H21 N O2 | | SMILES: | C(NC(CC)=O)CC3CCc2ccc1OCCc1c23 | | InChi: | InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 | | Synonyms: | Ramelteon | | Definition date: | 2018-09-06 | | Last modified: | 2021-03-01 | | Release date: | 2019-04-24 | | Identifier: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide |
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 | | 3O1 | | Name: | tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | Formula: | C15 H24 N2 O5 S | | SMILES: | O=S(=O)(N)c1ccc(OCCCCNC(=O)OC(C)(C)C)cc1 | | InChi: | InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20) | | Synonyms: | tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate | | Definition date: | 2014-09-26 | | Last modified: | 2021-03-01 | | Release date: | 2015-04-15 | | Identifier: | tert-butyl [4-(4-sulfamoylphenoxy)butyl]carbamate |
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 | | 3O5 | | Name: | 4-(4-sulfamoyl-phenoxy)-butylammonium | | Formula: | C10 H16 N2 O3 S | | SMILES: | O=S(=O)(N)c1ccc(OCCCCN)cc1 | | InChi: | InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14) | | Synonyms: | 4-(4-aminobutoxy)benzenesulfonamide | | Definition date: | 2014-09-26 | | Last modified: | 2021-03-01 | | Release date: | 2015-04-15 | | Identifier: | 4-(4-aminobutoxy)benzenesulfonamide |
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 | | UTX | | Name: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | | Formula: | C21 H29 B12 N6 O5 S | | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | | Synonyms: | UTX-97 | | Definition date: | 2016-12-08 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-28 |
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 | | 3QA | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol | | Formula: | C17 H27 N5 O3 S | | SMILES: | OCCOCCSCCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C17H27N5O3S/c18-17-16-15(20-11-21-17)13(7-19-16)9-22-8-12(14(24)10-22)1-5-26-6-4-25-3-2-23/h7,11-12,14,19,23-24H,1-6,8-10H2,(H2,18,20,21)/t12-,14-/m0/s1 | | Synonyms: | 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A | | Definition date: | 2014-10-06 | | Last modified: | 2021-03-01 | | Release date: | 2015-11-25 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol |
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 | | 3QM | | Name: | [(2R)-2-nitrosopropyl]benzene | | Formula: | C9 H11 N O | | SMILES: | O=NC(Cc1ccccc1)C | | InChi: | InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1 | | Synonyms: | 2-nitroso-1-phenylpropane | | Definition date: | 2014-10-08 | | Last modified: | 2021-03-01 | | Release date: | 2017-05-10 | | Identifier: | [(2R)-2-nitrosopropyl]benzene |
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 | | UVP | | Name: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium | | Formula: | C11 H16 N2 O8 P | | SMILES: | O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O | | InChi: | InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1 | | Synonyms: | uridine vinyl phosphonate | | Definition date: | 2016-11-15 | | Last modified: | 2021-03-01 | | Release date: | 2016-12-14 | | Identifier: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
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 | | UW5 | | Name: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol | | Formula: | C22 H23 N5 O2 | | SMILES: | OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C | | InChi: | InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25) | | Synonyms: | UW1553 | | Definition date: | 2017-10-30 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-06 | | Identifier: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol |
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 | | 3T5 | | Name: | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate | | Formula: | C22 H30 F O8 P | | SMILES: | O=P(O)(O)OCC(=O)C4(O)C3(C(C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)C3)CC4C)C | | InChi: | InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | | Synonyms: | Dexamethasone 21-phosphate | | Definition date: | 2011-08-15 | | Last modified: | 2021-03-01 | | Identifier: | (11alpha,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate |
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 | | 6AC | | Name: | prop-2-enenitrile | | Formula: | C3 H3 N | | SMILES: | N#CC=C | | InChi: | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 | | Synonyms: | Acrylonitrile | | Definition date: | 2013-07-16 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-24 | | Identifier: | prop-2-enenitrile |
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 | | 6AD | | Name: | 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) | | Formula: | C11 H17 N5 O10 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O | | InChi: | InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | 2-methylthio-adenosine-5'-diphosphate | | Definition date: | 2014-03-31 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-30 | | Identifier: | 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) |
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 | | 6AM | | Name: | 4,6-diamino-1,3,5-triazin-2-ol | | Formula: | C3 H5 N5 O | | SMILES: | Oc1nc(nc(n1)N)N | | InChi: | InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9) | | Synonyms: | Ammeline | | Definition date: | 2013-07-22 | | Last modified: | 2021-03-01 | | Release date: | 2014-01-22 | | Identifier: | 4,6-diamino-1,3,5-triazin-2-ol |
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 | | 6AT | | Name: | 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) | | Formula: | C11 H18 N5 O13 P3 S | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O | | InChi: | InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | 2-methylthio-adenosine-5'-triphosphate | | Definition date: | 2014-04-01 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-30 | | Identifier: | 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) |
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 | | V1L | | Name: | piperidin-2-one | | Formula: | C5 H9 N O | | SMILES: | O=C1CCCCN1 | | InChi: | InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7) | | Synonyms: | valerolactam | | Definition date: | 2017-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2018-10-10 | | Identifier: | piperidin-2-one |
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 | | V2A | | Name: | neoseptin 3 | | Formula: | C29 H34 N2 O4 | | SMILES: | C(c1ccccc1)CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N | | InChi: | InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1 | | Synonyms: | tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate | | Definition date: | 2020-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-01 | | Identifier: | tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate |
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 | | V2H | | Name: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol | | Formula: | C28 H44 O2 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 | | Synonyms: | 1-alpha-hydroxy-vitamin D2 | | Definition date: | 2008-07-02 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol |
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 | | V47 | | Name: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine | | Formula: | C19 H19 N5 O6 | | SMILES: | OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N | | InChi: | InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | | Synonyms: | Aminofutalosine | | Definition date: | 2020-06-23 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-15 | | Identifier: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine |
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 | | 6EU | | Name: | resiniferatoxin | | Formula: | C37 H40 O9 | | SMILES: | COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)C(=C)C)O | | InChi: | InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1 | | Synonyms: | RTX | | Definition date: | 2016-03-23 | | Last modified: | 2021-03-01 | | Release date: | 2016-05-25 | | Identifier: | [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate |
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 | | 6F0 | | Name: | 2-azanyl-6-fluoranyl-benzoic acid | | Formula: | C7 H6 F N O2 | | SMILES: | O=C(O)c1c(F)cccc1N | | InChi: | InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11) | | Synonyms: | 6-fluoroanthranilate | | Definition date: | 2014-02-06 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-23 | | Identifier: | 2-amino-6-fluorobenzoic acid |
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 | | 6FE | | Name: | 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline | | Formula: | C24 H28 N2 O | | SMILES: | COc1ccc(cc1)[C](=[C]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C | | InChi: | InChI=1S/C24H28N2O/c1-25(2)21-12-6-18(7-13-21)24(20-10-16-23(27-5)17-11-20)19-8-14-22(15-9-19)26(3)4/h6-17,21H,1-5H3/b24-18-/t21-/m0/s1 | | Synonyms: | MALACHITE GREEN DERIVATIVE MG-2P | | Definition date: | 2015-07-27 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-03 | | Identifier: | 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline |
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 | | 6GO | | Name: | 6-O-methylguanine | | Formula: | C6 H7 N5 O | | SMILES: | n1c(OC)c2c(nc1N)ncn2 | | InChi: | InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11) | | Synonyms: | 6-methoxy-7H-purin-2-amine | | Definition date: | 2008-12-30 | | Last modified: | 2021-03-01 | | Identifier: | 6-methoxy-7H-purin-2-amine |
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 | | 6GU | | Name: | 6-chloroguanine | | Formula: | C5 H4 Cl N5 | | SMILES: | Clc2nc(nc1c2ncn1)N | | InChi: | InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11) | | Synonyms: | 6-chloro-9H-purin-2-amine | | Definition date: | 2008-08-26 | | Last modified: | 2021-03-01 | | Identifier: | 6-chloro-9H-purin-2-amine |
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 | | V6D | | Name: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione | | Formula: | C30 H43 N3 O4 S | | SMILES: | C1(=CC=CC(=O)OC(Cc2scc(CCC(N)CC(=O)OC(C1)C)n2)[C@H]=C(C)C=[C@H]C(C)=[C@H]CN(C)C)C | | InChi: | InChI=1S/C30H43N3O4S/c1-21(14-15-33(5)6)10-11-23(3)17-27-19-28-32-26(20-38-28)13-12-25(31)18-30(35)36-24(4)16-22(2)8-7-9-29(34)37-27/h7-11,14,17,20,24-25,27H,12-13,15-16,18-19,31H2,1-6H3/b9-7-,11-10+,21-14+,22-8+,23-17+/t24-,25+,27+/m0/s1 | | Synonyms: | des-methyl Pateamine A | | Definition date: | 2020-07-07 | | Last modified: | 2021-03-01 | | Release date: | 2021-01-06 | | Identifier: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione |
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 | | 6GY | | Name: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine | | Formula: | C29 H39 Cl N7 O2 P | | SMILES: | c1(cnc(nc1Nc2c(P(C)(=O)C)cccc2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl | | InChi: | InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) | | Synonyms: | Brigatinib | | Definition date: | 2016-04-07 | | Last modified: | 2021-03-01 | | Release date: | 2016-05-25 | | Identifier: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine |
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 | | 6HS | | Name: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | | Formula: | C19 H36 N4 O8 | | SMILES: | O(C2C(O)C(OC1OC(=CCC1N)CO)C(N)CC2N)C3OCC(O)(C(NC)C3O)C | | InChi: | InChI=1S/C19H36N4O8/c1-19(27)7-28-18(13(26)16(19)23-2)31-15-11(22)5-10(21)14(12(15)25)30-17-9(20)4-3-8(6-24)29-17/h3,9-18,23-27H,4-7,20-22H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 | | Synonyms: | 6'-hydroxysisomicin | | Definition date: | 2012-09-03 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-03 | | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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