 | | REM | | Name: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide | | Formula: | C33 H50 N4 O6 S | | SMILES: | O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4 | | InChi: | InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1 | | Synonyms: | remikiren | | Definition date: | 2008-05-27 | | Last modified: | 2021-03-01 | | Identifier: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide |
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 | | XT8 | | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H18 N2 O6 S2 | | SMILES: | C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C | | InChi: | InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1 | | Synonyms: | ticarcillin | | Definition date: | 2019-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | SN6 | | Name: | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | | Formula: | C29 H27 N5 O | | SMILES: | O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C | | InChi: | InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2 | | Synonyms: | SN6999 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium |
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 | | SN7 | | Name: | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE | | Formula: | C29 H29 N7 O | | SMILES: | O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C | | InChi: | InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2 | | Synonyms: | SN7167 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium |
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 | | XTC | | Name: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | | Formula: | C21 H21 N3 O9 | | SMILES: | [O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N | | InChi: | InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1 | | Synonyms: | 9-NITROTETRACYCLINE | | Definition date: | 2012-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | ZD6 | | Name: | Vandetanib | | Formula: | C22 H24 Br F N4 O2 | | SMILES: | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4 | | InChi: | InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | | Synonyms: | ZD6474 | | Definition date: | 2006-06-16 | | Last modified: | 2021-03-01 | | Identifier: | ~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
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 | | SN8 | | Name: | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | | Formula: | C30 H47 N5 O | | SMILES: | O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5 | | InChi: | InChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22?,23-,24?,25+ | | Synonyms: | SN8315 | | Definition date: | 2005-05-20 | | Last modified: | 2021-03-01 | | Identifier: | trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide |
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 | | S8F | | Name: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine | | Formula: | C17 H18 F N5 | | SMILES: | Fc1cccc(c1)CCCNCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2 | | Synonyms: | N-(2-(1H-IMIDAZOL-1-YL)-4-PYRIMIDYLMETHYL)-3-(3-FLUOROPHENYL)PROPAN-1-AMINE | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine |
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 | | XTG | | Name: | 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Formula: | C17 H23 N O11 S | | SMILES: | [O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3 | | InChi: | InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1 | | Synonyms: | 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2005-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside |
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 | | R14 | | Name: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] | | Formula: | C43 H47 N11 O2 | | SMILES: | O=C(Nc1cccc(c1)c2nnn(c2)c7cc6nc3c(ccc(c3)n4nnc(c4)c5cccc(NC(=O)CCN(CC)CC)c5)cc6cc7)CCN(CC)CC | | InChi: | InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56) | | Synonyms: | triazole-acridine conjugate | | Definition date: | 2010-04-19 | | Last modified: | 2021-03-01 | | Identifier: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] |
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 | | SNI | | Name: | 9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE | | Formula: | C10 H12 N4 O4 Se | | SMILES: | [Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO | | InChi: | InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | SELENOINOSINE | | Definition date: | 2004-02-25 | | Last modified: | 2021-03-01 | | Identifier: | 9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone |
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 | | UAH | | Name: | (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate | | Formula: | C7 H10 N O5 P | | SMILES: | Cc1ncc(cc1O)COP(O)(O)=O | | InChi: | InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12) | | Synonyms: | 4'-deformyl pyidoxal phosphote | | Definition date: | 2016-03-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-03-29 | | Identifier: | (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | YAS | | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate | | Formula: | C25 H42 N7 O17 P3 S | | SMILES: | CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24+/m0/s1 | | Synonyms: | Butyryl-CoA | | Definition date: | 2018-12-06 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-18 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate |
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 | | SNP | | Name: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL | | Formula: | C16 H21 N O2 | | SMILES: | OC(CNC(C)C)COc2cccc1ccccc12 | | InChi: | InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1 | | Synonyms: | S-PROPRANOLOL | | Definition date: | 2000-01-26 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol |
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 | | XCA | | Name: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-cholestenoic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid |
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 | | S91 | | Name: | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | | Formula: | C20 H19 N5 O3 | | SMILES: | O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C | | InChi: | InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25) | | Synonyms: | (4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID | | Definition date: | 2005-03-22 | | Last modified: | 2021-03-01 | | Identifier: | [4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid |
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 | | RFE | | Name: | L-Methionine Tenofovir | | Formula: | C14 H23 N6 O5 P S | | SMILES: | CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O | | InChi: | InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1 | | Synonyms: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid | | Definition date: | 2020-09-28 | | Last modified: | 2021-03-01 | | Release date: | 2021-01-13 | | Identifier: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid |
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 | | ZEA | | Name: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol | | Formula: | C10 H13 N5 O | | SMILES: | n2c1c(ncn1)c(nc2)NCC=C(/C)CO | | InChi: | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ | | Synonyms: | TRANS-ZEATIN | | Definition date: | 2004-06-23 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol |
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 | | RTX | | Name: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine | | Formula: | C20 H25 Cl N2 O | | SMILES: | Clc2cc1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC | | InChi: | InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3 | | Synonyms: | 10-DEBC | | Definition date: | 2013-09-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-26 | | Identifier: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine |
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 | | SNY | | Name: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | | Formula: | C11 H12 O4 | | SMILES: | O=CC=Cc1cc(OC)c(O)c(OC)c1 | | InChi: | InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ | | Synonyms: | Sinapaldehyde | | Definition date: | 2010-10-25 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal |
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 | | 5L9 | | Name: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol | | Formula: | C14 H15 Cl2 N3 O | | SMILES: | O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 | | InChi: | InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m0/s1 | | Synonyms: | S-desthio-prothioconazole | | Definition date: | 2015-10-19 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-10 | | Identifier: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol |
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 | | SO1 | | Name: | [1R-(1.ALPHA.,3A.BETA.,4.BETA.,4A.BETA.,7.BETA.,7A.ALPHA.,8A.BETA.)]8A-[(6-DEOXY-4-O-METHYL-BETA-D-ALTROPYRANOSYLOXY)METHYL]-4-FORMYL-4,4A,5,6,7,7A,8,8A-OCTAHYDRO-7-METHYL-3-(1-METHYLETHYL)-1,4-METHANO-S-INDACENE-3A(1H)-CARBOXYLIC ACID | | Formula: | C27 H42 O8 | | SMILES: | O=C(O)C53C4(COC1OC(C(OC)C(O)C1O)C)CC2C(C)CCC2C3(C=O)CC4CC5C(C)C | | InChi: | InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/t14-,15-,16+,17-,18-,19?,20+,21+,22-,23-,25+,26+,27+/m1/s1 | | Synonyms: | SORDARIN | | Definition date: | 2003-01-20 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-beta-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(1-methylethyl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid |
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 | | R1T | | Name: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | | Formula: | C15 H23 N3 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C | | InChi: | InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m1/s1 | | Synonyms: | 2-[(1R)-1-HYDROXYETHYL]-3-DEAZA-THDP | | Definition date: | 2007-06-18 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate |
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 | | XUG | | Name: | 2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE) | | Formula: | C11 H16 N5 O7 P Se | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O | | InChi: | InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | (D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE | | Definition date: | 2006-05-18 | | Last modified: | 2021-03-01 | | Identifier: | 2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) |
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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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