 | | UAR | | Name: | URACIL ARABINOSE-5'-PHOSPHATE | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 | | Definition date: | 2000-12-18 | | Last modified: | 2011-06-04 | | Identifier: | 1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | T2D | | Name: | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE | | Formula: | C8 H8 N2 O3 S | | SMILES: | O=S2(=O)NC(=O)CN2c1ccccc1 | | InChi: | InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11) | | Definition date: | 2006-10-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-phenyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide |
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 | | MY9 | | Name: | N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE | | Formula: | C33 H40 F N5 O6 S | | SMILES: | O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4ccccc4)(C)C | | InChi: | InChI=1S/C33H40FN5O6S/c1-20(22-12-14-25(34)15-13-22)35-30(41)23-17-24(19-26(18-23)39(5)46(6,44)45)31(42)36-27(16-21-10-8-7-9-11-21)29(40)28-32(43)38(4)33(2,3)37-28/h7-15,17-20,27-29,37,40H,16H2,1-6H3,(H,35,41)(H,36,42)/t20-,27+,28+,29+/m1/s1 | | Definition date: | 2007-03-28 | | Last modified: | 2011-06-04 | | Identifier: | N-{(1S,2S)-1-benzyl-2-hydroxy-2-[(4S)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide |
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 | | TH8 | | Name: | THIAMPHENICOL | | Formula: | C12 H15 Cl2 N O5 S | | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc(cc1)S(=O)(=O)C)CO | | InChi: | InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1 | | Definition date: | 2008-08-28 | | Last modified: | 2011-06-04 | | Identifier: | 2,2-dichloro-N-{(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide |
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 | | PET | | Name: | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE | | Formula: | C18 H22 N4 O3 | | SMILES: | O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C18H22N4O3/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4,4'-[oxybis(ethane-2,1-diyloxy)]dibenzenecarboximidamide |
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 | | ONE | | Name: | 1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-ONE-5'-PHOSPHATE | | Formula: | C10 H14 N O8 P | | SMILES: | O=C1C=CN(C=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H14NO8P/c12-6-1-3-11(4-2-6)10-9(14)8(13)7(19-10)5-18-20(15,16)17/h1-4,7-10,13-14H,5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1 | | Definition date: | 2000-03-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-4(1H)-one |
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 | | THA | | Name: | TACRINE | | Formula: | C13 H14 N2 | | SMILES: | n1c3c(c(c2c1cccc2)N)CCCC3 | | InChi: | InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1,2,3,4-tetrahydroacridin-9-amine |
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 | | PTI | | Name: | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL | | Formula: | C28 H32 N2 O2 | | SMILES: | O(c1ccc(cc1)C4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5 | | InChi: | InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1 | | Definition date: | 2003-04-11 | | Last modified: | 2011-06-04 | | Identifier: | (1R)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol |
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 | | KI2 | | Name: | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID | | Formula: | C18 H19 N O5 | | SMILES: | O=C(O)C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1 | | Definition date: | 2002-12-23 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid |
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 | | 0DT | | Name: | 2'-DEOXY-L-RIBO-FURANOSYL THYMIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H15 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O | | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | | Definition date: | 2009-07-27 | | Last modified: | 2011-06-04 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | WFE | | Name: | N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide | | Formula: | C20 H22 F2 N6 O | | SMILES: | Fc1ccc(c(F)c1)C(=O)NCC4(N)CCN(c2ncnc3c2c(cn3)CC)C4 | | InChi: | InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1 | | Definition date: | 2010-05-10 | | Last modified: | 2011-06-04 | | Identifier: | N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide |
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 | | PEX | | Name: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE | | Formula: | C25 H49 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC | | InChi: | InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1 | | Definition date: | 2004-08-02 | | Last modified: | 2011-06-04 | | Identifier: | 2-aminoethyl (2R)-2,3-bis(decanoyloxy)propyl phosphate |
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 | | PTL | | Name: | PENTANAL | | Formula: | C5 H10 O | | SMILES: | O=CCCCC | | InChi: | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | pentanal |
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 | | PEY | | Name: | PHENANTHRENE | | Formula: | C14 H10 | | SMILES: | c3cc2ccc1ccccc1c2cc3 | | InChi: | InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H | | Definition date: | 2006-07-12 | | Last modified: | 2011-06-04 | | Identifier: | phenanthrene |
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 | | SA3 | | Name: | 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE | | Formula: | C26 H21 N3 O9 | | SMILES: | O=C2c1c6c(c4c(c1C(=O)N2)c3ccc(O)cc3n4)n(c5cc(O)ccc56)C7OC(C(O)C(O)C7O)CO | | InChi: | InChI=1S/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)/t14-,21-,22+,23-,26?/m1/s1 | | Definition date: | 2004-05-25 | | Last modified: | 2011-06-04 | | Identifier: | 12-alpha-D-glucopyranosyl-2,10-dihydroxy-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione |
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 | | THF | | Name: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | | Formula: | C20 H23 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3C=NC=2NC(=NC(=O)C=2N3CO)N)CCC(=O)O | | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-({[(6S)-2-amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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 | | T2M | | Name: | TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE | | Formula: | C7 H13 N3 O2 | | SMILES: | O=C(OC(C)(C)C)NN(C#N)C | | InChi: | InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11) | | Definition date: | 2005-02-07 | | Last modified: | 2011-06-04 | | Identifier: | tert-butyl 2-cyano-2-methylhydrazinecarboxylate |
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 | | SA6 | | Name: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde | | Formula: | C15 H23 N O4 | | SMILES: | O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2 | | InChi: | InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 | | Definition date: | 2010-04-20 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
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 | | THG | | Name: | (6S)-5,6,7,8-TETRAHYDROFOLATE | | Formula: | C19 H23 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC(=NC=2NC3)N)CCC(=O)O | | InChi: | InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1 | | Definition date: | 2002-02-26 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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 | | PTO | | Name: | PSEUDOTROPINE | | Formula: | C8 H15 N O | | SMILES: | OC2CC1N(C)C(CC1)C2 | | InChi: | InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8- | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol |
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 | | ONM | | Name: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE | | Formula: | C18 H23 N6 O15 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC | | InChi: | InChI=1S/C18H23N6O15P3/c1-20-9-5-3-2-4-8(9)17(27)37-13-10(6-35-41(31,32)39-42(33,34)38-40(28,29)30)36-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1 | | Definition date: | 2004-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3'-O-{[2-(methylamino)phenyl]carbonyl}guanosine 5'-(tetrahydrogen triphosphate) |
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 | | KI9 | | Name: | 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL | | Formula: | C12 H4 Cl5 N O | | SMILES: | Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3 | | InChi: | InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H | | Definition date: | 2010-03-19 | | Last modified: | 2011-06-04 | | Identifier: | 2,3,4,6,8-pentachloro-9H-carbazol-1-ol |
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 | | THI | | Name: | THIAZOLO-3-PHENYLISOINDOL-1-ONE | | Formula: | C16 H13 N O S | | SMILES: | O=C2c1c(cccc1)C3(SCCN23)c4ccccc4 | | InChi: | InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/t16-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (9bS)-9b-phenyl-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one |
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 | | T2P | | Name: | 3-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE | | Formula: | C13 H21 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9+/m0/s1 | | Definition date: | 2004-06-18 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitol |
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 | | PF2 | | Name: | 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine | | Formula: | C17 H24 F2 N6 O | | SMILES: | FC4(F)CCN(C(=O)C3NCC(N2CCN(c1ncccn1)CC2)C3)C4 | | InChi: | InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1 | | Definition date: | 2008-11-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine |
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