 | | TQT | | Name: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE | | Formula: | C17 H33 N5 | | SMILES: | NC2NC1CCC(CC1C(N)N2)CN4C3CCCCC3CC4 | | InChi: | InChI=1S/C17H33N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h11-17,20-21H,1-10,18-19H2/t11-,12+,13+,14-,15-,16+,17+/m0/s1 | | Definition date: | 2004-01-20 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydro-1H-indol-1-ylmethyl]decahydroquinazoline-2,4-diamine |
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 | | TR1 | | Name: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | | Formula: | C24 H31 N3 O4 S | | SMILES: | O=C(OC)C(NC(=O)CNC(=O)C(NCc1ccc(cc1)c2ccccc2)CS)C(C)C | | InChi: | InChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1 | | Definition date: | 1999-08-03 | | Last modified: | 2011-06-04 | | Identifier: | methyl N-(biphenyl-4-ylmethyl)-L-cysteinylglycyl-L-valinate |
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 | | TR2 | | Name: | thieno[3,2-b]pyridin-7-ol | | Formula: | C7 H5 N O S | | SMILES: | n1ccc(O)c2sccc12 | | InChi: | InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9) | | Definition date: | 2010-06-08 | | Last modified: | 2011-06-04 | | Identifier: | thieno[3,2-b]pyridin-7-ol |
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 | | TR3 | | Name: | N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide | | Formula: | C20 H22 N4 O S | | SMILES: | O=C(Nc1ccc2c(c1)n(nc2SC)c3ccccc3)C4CCNCC4 | | InChi: | InChI=1S/C20H22N4OS/c1-26-20-17-8-7-15(22-19(25)14-9-11-21-12-10-14)13-18(17)24(23-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3,(H,22,25) | | Definition date: | 2010-06-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide |
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 | | TR4 | | Name: | 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile | | Formula: | C11 H10 N4 S | | SMILES: | N#Cc1c(N)n(nc1SC)c2ccccc2 | | InChi: | InChI=1S/C11H10N4S/c1-16-11-9(7-12)10(13)15(14-11)8-5-3-2-4-6-8/h2-6H,13H2,1H3 | | Definition date: | 2010-06-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
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 | | TRA | | Name: | ACONITATE ION | | Formula: | C6 H3 O6 | | SMILES: | [O-]C(=O)CC(=CC([O-])=O)/C(=O)[O-] | | InChi: | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1E)-prop-1-ene-1,2,3-tricarboxylate |
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 | | TRC | | Name: | TRICARBALLYLIC ACID | | Formula: | C6 H8 O6 | | SMILES: | O=C(O)CC(C(=O)O)CC(=O)O | | InChi: | InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | propane-1,2,3-tricarboxylic acid |
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 | | 0FA | | Name: | N~2~-phosphono-L-leucinamide | | Formula: | C6 H15 N2 O4 P | | SMILES: | O=P(O)(O)NC(C(=O)N)CC(C)C | | InChi: | InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1 | | Definition date: | 2008-11-12 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-phosphono-L-leucinamide |
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 | | TRH | | Name: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE | | Formula: | C16 H26 N2 O15 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O | | InChi: | InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1 | | Definition date: | 2000-11-28 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | TRI | | Name: | 1,2,4-TRIAZOLE | | Formula: | C2 H3 N3 | | SMILES: | n1ncnc1 | | InChi: | InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4H-1,2,4-triazole |
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 | | TRJ | | Name: | META-DI(AMINOMETHYL)BENZENE | | Formula: | C8 H12 N2 | | SMILES: | NCc1cccc(c1)CN | | InChi: | InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2 | | Definition date: | 2000-09-12 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,3-diyldimethanamine |
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 | | CF1 | | Name: | 2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid | | Formula: | C15 H11 Cl F3 N O3 | | SMILES: | Clc2ccc(cc2Nc1ccc(OC)cc1C(=O)O)C(F)(F)F | | InChi: | InChI=1S/C15H11ClF3NO3/c1-23-9-3-5-12(10(7-9)14(21)22)20-13-6-8(15(17,18)19)2-4-11(13)16/h2-7,20H,1H3,(H,21,22) | | Definition date: | 2009-06-04 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid |
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 | | CF2 | | Name: | 2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine | | Formula: | C25 H26 N10 O7 | | SMILES: | O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCNC(=O)OCC6OC(n5cnc4c5N=C(N)NC4=O)CC6O)C)C | | InChi: | InChI=1S/C25H26N10O7/c1-10-5-12-13(6-11(10)2)34(20-18(29-12)22(38)33-24(39)31-20)4-3-27-25(40)41-8-15-14(36)7-16(42-15)35-9-28-17-19(35)30-23(26)32-21(17)37/h5-6,9,14-16,36H,3-4,7-8H2,1-2H3,(H,27,40)(H,33,38,39)(H3,26,30,32,37)/t14-,15+,16+/m0/s1 | | Definition date: | 2007-12-19 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine |
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 | | CF3 | | Name: | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | | Formula: | C15 H18 F3 N O2 | | SMILES: | O=C(Nc1ccccc1)CCCCCCC(=O)C(F)(F)F | | InChi: | InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21) | | Definition date: | 2006-04-21 | | Last modified: | 2011-06-04 | | Identifier: | 9,9,9-trifluoro-8-oxo-N-phenylnonanamide |
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 | | CF4 | | Name: | [4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid | | Formula: | C17 H19 N5 O4 | | SMILES: | O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCCCNC(=O)O)C)C | | InChi: | InChI=1S/C17H19N5O4/c1-9-7-11-12(8-10(9)2)22(6-4-3-5-18-17(25)26)14-13(19-11)15(23)21-16(24)20-14/h7-8,18H,3-6H2,1-2H3,(H,25,26)(H,21,23,24) | | Definition date: | 2007-12-19 | | Last modified: | 2011-06-04 | | Identifier: | [4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid |
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 | | CF5 | | Name: | COFORMYCIN 5'-PHOSPHATE | | Formula: | C11 H17 N4 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O | | InChi: | InChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1 | | Definition date: | 2005-06-29 | | Last modified: | 2011-06-04 | | Identifier: | (8R)-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol |
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 | | TRR | | Name: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM | | Formula: | C14 H19 N4 O3 | | SMILES: | O(c1cc(cc(OC)c1OC)Cc2c(nc(N)[nH+]c2)N)C | | InChi: | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/p+1 | | Definition date: | 2002-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium |
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 | | TRU | | Name: | 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE | | Formula: | C8 H8 Cl3 N3 O4 S2 | | SMILES: | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N | | InChi: | InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1 | | Definition date: | 2005-09-13 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
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 | | CFC | | Name: | 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE | | Formula: | C14 H15 Fe N O3 | | SMILES: | [Fe]|1|2|3|4|5|6|7|8(|[CH]9[CH]|1[CH]|2[C]|3([CH]|49)C(O)=O)|[CH]%10[CH]|5[CH]|6[C]|7([CH]|8%10)C(=O)N(C)C | | InChi: | InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 |
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 | | TRY | | Name: | (2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid | | Formula: | C11 H10 N2 O2 | | SMILES: | O=C(O)/C(N)=C/c2c1ccccc1nc2 | | InChi: | InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5- | | Definition date: | 2011-03-25 | | Last modified: | 2011-06-04 | | Identifier: | (2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid |
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 | | CFH | | Name: | 1,1,1,3,3,3-hexafluoropropan-2-ol | | Formula: | C3 H2 F6 O | | SMILES: | FC(F)(F)C(O)C(F)(F)F | | InChi: | InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H | | Definition date: | 2009-06-19 | | Last modified: | 2011-06-04 | | Identifier: | 1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | TRZ | | Name: | TRAZEOLIDE | | Formula: | C20 H28 O3 | | SMILES: | O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C | | InChi: | InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1 | | Definition date: | 1999-10-07 | | Last modified: | 2011-06-04 | | Identifier: | 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(1-methylethyl)-2,3-dihydro-1H-inden-5-yl]butanoic acid |
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 | | TS0 | | Name: | 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE | | Formula: | C14 H23 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8+,10+/m0/s1 | | Definition date: | 2004-07-01 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitol |
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 | | TS1 | | Name: | 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE | | Formula: | C14 H23 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8-,10+/m1/s1 | | Definition date: | 2004-07-01 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol |
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 | | CFO | | Name: | CHLORO DIIRON-OXO MOIETY | | Formula: | Cl Fe2 O | | SMILES: | Cl[Fe]O[Fe] | | InChi: | InChI=1S/ClH.2Fe.O/h1H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | chloro-ferriooxy-iron |
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