 | | TOP | | Name: | TRIMETHOPRIM | | Formula: | C14 H18 N4 O3 | | SMILES: | n1c(N)c(cnc1N)Cc2cc(OC)c(OC)c(OC)c2 | | 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) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine |
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 | | TP1 | | Name: | 2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE | | Formula: | C12 H18 N4 O5 | | SMILES: | O=C(N(CC(=O)O)CCNC)CN1C=C(C(=O)NC1=O)C | | InChi: | InChI=1S/C12H18N4O5/c1-8-5-16(12(21)14-11(8)20)6-9(17)15(4-3-13-2)7-10(18)19/h5,13H,3-4,6-7H2,1-2H3,(H,18,19)(H,14,20,21) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[2-(methylamino)ethyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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 | | TP5 | | Name: | THIOPHENE-3-CARBOXIMIDAMIDE | | Formula: | C5 H6 N2 S | | SMILES: | [N@H]=C(N)c1ccsc1 | | InChi: | InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7) | | Definition date: | 2005-09-13 | | Last modified: | 2011-06-04 | | Identifier: | thiophene-3-carboximidamide |
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 | | TP6 | | Name: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE | | Formula: | C15 H25 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C15H25N4O11P/c20-7-9(22)11(23)8(21)6-19-12-10(13(24)17-14(25)16-12)18(15(19)26)4-2-1-3-5-30-31(27,28)29/h8-9,11,20-23H,1-7H2,(H2,27,28,29)(H2,16,17,24,25)/t8-,9-,11+/m1/s1 | | Definition date: | 2005-12-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[5-(phosphonooxy)pentyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol |
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 | | TPA | | Name: | TRANS-2-PHENYLCYCLOPROPYLAMINE | | Formula: | C9 H12 N | | SMILES: | c1cccc(c1)C2CC2[NH3+] | | InChi: | InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2R)-2-phenylcyclopropanaminium |
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 | | TPC | | Name: | 5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID | | Formula: | C9 H14 N3 O6 P S | | SMILES: | O=P(O)(O)SCC2OC(N1C(=O)N=C(N)C=C1)CC2O | | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-20-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Definition date: | 2004-10-06 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-S-phosphono-5'-thiocytidine |
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 | | TPD | | Name: | N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE | | Formula: | C9 H10 N2 O4 S4 | | SMILES: | O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N | | InChi: | InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13) | | Definition date: | 2001-03-28 | | Last modified: | 2011-06-04 | | Identifier: | N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide |
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 | | TPE | | Name: | 3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER) | | Formula: | C18 H22 N2 O12 P2 | | SMILES: | O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3OC(=O)C | | InChi: | InChI=1S/C18H22N2O12P2/c1-11-9-20(18(23)19-17(11)22)16-8-14(29-12(2)21)15(30-16)10-28-33(24,25)32-34(26,27)31-13-6-4-3-5-7-13/h3-7,9,14-16H,8,10H2,1-2H3,(H,24,25)(H,26,27)(H,19,22,23)/t14-,15+,16+/m0/s1 | | Definition date: | 2000-03-09 | | Last modified: | 2011-06-04 | | Identifier: | 3'-O-acetyl-5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine |
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 | | TPG | | Name: | 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE | | Formula: | C23 H35 N10 O18 P3 | | SMILES: | CN(C)C1=NC2=C(N(C)CN2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)C(=O)N1 | | InChi: | InChI=1S/C23H35N10O18P3/c1-30(2)23-27-17-11(19(39)29-23)31(3)7-33(17)21-15(37)13(35)9(49-21)5-47-53(42,43)51-54(44,45)50-52(40,41)46-4-8-12(34)14(36)20(48-8)32-6-25-10-16(32)26-22(24)28-18(10)38/h6,8-9,12-15,20-21,34-37H,4-5,7H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)(H,27,29,39)(H3,24,26,28,38)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 | | Definition date: | 2004-10-01 | | Last modified: | 2011-06-04 | | Identifier: | [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-dimethylamino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | TPI | | Name: | 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID | | Formula: | C17 H17 F2 N2 O7 P | | SMILES: | O=C(N)C(NC(=O)c1ccc2c(c1)ccc(c2)C(F)(F)P(=O)(O)O)CCC(=O)O | | InChi: | InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m0/s1 | | Definition date: | 1999-08-24 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-({6-[difluoro(phosphono)methyl]naphthalen-2-yl}carbonyl)-L-alpha-glutamine |
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 | | TQ3 | | Name: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | | Formula: | C14 H12 N4 S | | SMILES: | n3c2c(c(Sc1ccccc1)ccc2)c(nc3N)N | | InChi: | InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18) | | Definition date: | 2001-03-23 | | Last modified: | 2011-06-04 | | Identifier: | 5-(phenylsulfanyl)quinazoline-2,4-diamine |
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 | | TQ6 | | Name: | 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | | Formula: | C18 H19 N5 O S | | SMILES: | n1c(N)c4c(nc1N)cccc4Sc3ccc(N2CCOCC2)cc3 | | InChi: | InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22) | | Definition date: | 2001-03-23 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(4-morpholin-4-ylphenyl)sulfanyl]quinazoline-2,4-diamine |
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 | | TQI | | Name: | N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN | | Formula: | C18 H14 Cl F3 N2 O4 S | | SMILES: | OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(Cl)c(c3)C(F)(F)F | | InChi: | InChI=1S/C18H14ClF3N2O4S/c19-14-6-5-11(8-13(14)18(20,21)22)29(27,28)24-16(17(25)26)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,16,23-24H,7H2,(H,25,26)/t16-/m0/s1 | | Definition date: | 2011-01-20 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid |
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 | | TQP | | Name: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C24 H35 N4 O19 P3 | | SMILES: | O=P(OC2OC(C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O | | InChi: | InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)18(20(31)12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20-,21-,23-/m1/s1 | | Definition date: | 2009-01-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 8MG | | Name: | 8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O7 P | | SMILES: | O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1 | | Definition date: | 2003-10-08 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate) |
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 | | 930 | | Name: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE | | Formula: | C24 H23 Cl F N3 O3 S | | SMILES: | Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5 | | InChi: | InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22-/m0/s1 | | Definition date: | 2011-02-02 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-N-[(3S)-1-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide |
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 | | 931 | | Name: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE | | Formula: | C24 H23 Cl F N3 O3 S | | SMILES: | Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5 | | InChi: | InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22+/m1/s1 | | Definition date: | 2011-02-02 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-N-[(3S)-1-[2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide |
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 | | 951 | | Name: | 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid | | Formula: | C18 H13 Cl N2 O3 | | SMILES: | OC(=O)c1ccccc1NN=Cc2oc(cc2)c3ccccc3Cl | | InChi: | InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-11,21H,(H,22,23)/b20-11+ | | Definition date: | 2009-12-03 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid |
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 | | 957 | | Name: | N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide | | Formula: | C24 H32 F2 N2 O2 S | | SMILES: | Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC3(c2scc(c2)CC(C)(C)C)CC3 | | InChi: | InChI=1S/C24H32F2N2O2S/c1-15(29)28-20(9-16-7-18(25)11-19(26)8-16)21(30)13-27-24(5-6-24)22-10-17(14-31-22)12-23(2,3)4/h7-8,10-11,14,20-21,27,30H,5-6,9,12-13H2,1-4H3,(H,28,29)/t20-,21+/m0/s1 | | Definition date: | 2010-07-16 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S,3R)-1-(3,5-difluorophenyl)-4-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-3-hydroxybutan-2-yl]acetamide |
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 | | 959 | | Name: | benzyl (2-oxopropyl)carbamate | | Formula: | C11 H13 N O3 | | SMILES: | O=C(C)CNC(=O)OCc1ccccc1 | | InChi: | InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14) | | Definition date: | 2008-05-19 | | Last modified: | 2011-06-04 | | Identifier: | benzyl (2-oxopropyl)carbamate |
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 | | 965 | | Name: | [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid | | Formula: | C33 H31 Cl F3 N O3 | | SMILES: | Clc1c(cccc1CN(CCCOc2cc(ccc2)CC(=O)O)CC(c3ccccc3)c4ccccc4)C(F)(F)F | | InChi: | InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40) | | Definition date: | 2003-06-19 | | Last modified: | 2011-06-04 | | Identifier: | [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid |
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 | | 973 | | Name: | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | | Formula: | C21 H13 Cl O3 | | SMILES: | O=C2O/C(C(O)=C2c1ccc(Cl)cc1)=Cc4c3ccccc3ccc4 | | InChi: | InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12- | | Definition date: | 2007-06-11 | | Last modified: | 2011-06-04 | | Identifier: | (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2(5H)-one |
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 | | 977 | | Name: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL | | Formula: | C10 H8 Br N3 O | | SMILES: | Brc2c(O)nc(nc2c1ccccc1)N | | InChi: | InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15) | | Definition date: | 2004-03-05 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-5-bromo-6-phenylpyrimidin-4-ol |
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 | | 97B | | Name: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine | | Formula: | C30 H25 Cl F2 N6 O | | SMILES: | O=C(N1CCN(C)CC1)c6ccc(Nc4nc3c2ccc(Cl)cc2C(=NCc3cn4)c5c(F)cccc5F)cc6 | | InChi: | InChI=1S/C30H25ClF2N6O/c1-38-11-13-39(14-12-38)29(40)18-5-8-21(9-6-18)36-30-35-17-19-16-34-28(26-24(32)3-2-4-25(26)33)23-15-20(31)7-10-22(23)27(19)37-30/h2-10,15,17H,11-14,16H2,1H3,(H,35,36,37) | | Definition date: | 2009-04-15 | | Last modified: | 2011-06-04 | | Identifier: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine |
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 | | 982 | | Name: | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID | | Formula: | C10 H7 N O5 S | | SMILES: | O=C(O)COc1c2cccnc2sc1C(=O)O | | InChi: | InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15) | | Definition date: | 2005-09-30 | | Last modified: | 2011-06-04 | | Identifier: | 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid |
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