 | | 983 | | Name: | (5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]-5-BENZYL-10-HYDROXY-9-ISOPROPYL-3-OXO-1-PHENYL-2-OXA-7-THIA-4,8-DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10-TRIOXIDE | | Formula: | C31 H40 N3 O8 P S | | SMILES: | O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NS(=O)(=O)CC(NC(=O)OCc2ccccc2)Cc3ccccc3)C(C)C | | InChi: | InChI=1S/C31H40N3O8PS/c1-22(2)29(43(38,39)20-28(30(35)36)26-15-9-14-25(16-26)18-32)34-44(40,41)21-27(17-23-10-5-3-6-11-23)33-31(37)42-19-24-12-7-4-8-13-24/h3-16,22,27-29,34H,17-21,32H2,1-2H3,(H,33,37)(H,35,36)(H,38,39)/t27-,28-,29+/m0/s1 | | Definition date: | 2007-04-26 | | Last modified: | 2011-06-04 | | Identifier: | (5S,9R,10R,12S)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-(1-methylethyl)-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide |
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 | | 988 | | Name: | 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline | | Formula: | C21 H15 N3 O2 | | SMILES: | [O-][N+](=O)c1cccc(c1)c3cc(cc2cccnc23)Cc4ccncc4 | | InChi: | InChI=1S/C21H15N3O2/c25-24(26)19-5-1-3-17(14-19)20-13-16(11-15-6-9-22-10-7-15)12-18-4-2-8-23-21(18)20/h1-10,12-14H,11H2 | | Definition date: | 2009-02-16 | | Last modified: | 2011-06-04 | | Identifier: | 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline |
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 | | 9AD | | Name: | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE | | Formula: | C18 H20 N4 O | | SMILES: | O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCN(C)C | | InChi: | InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide |
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 | | 9AP | | Name: | 9-AMINOPHENANTHRENE | | Formula: | C14 H11 N | | SMILES: | c23c1ccccc1cc(N)c2cccc3 | | InChi: | InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2 | | Definition date: | 2000-02-23 | | Last modified: | 2011-06-04 | | Identifier: | phenanthren-9-amine |
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 | | 9BD | | Name: | 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine | | Formula: | C19 H19 N5 O3 | | SMILES: | n1c(c3c(cc1n2ccnc2)c4cc(OC)c(OCCOC)cc4nc3)N | | InChi: | InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23) | | Definition date: | 2009-05-07 | | Last modified: | 2011-06-04 | | Identifier: | 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine |
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 | | 9CA | | Name: | 9H-CARBAZOLE | | Formula: | C12 H9 N | | SMILES: | c1cccc3c1c2c(cccc2)n3 | | InChi: | InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H | | Definition date: | 2006-02-14 | | Last modified: | 2011-06-04 | | Identifier: | 9H-carbazole |
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 | | 9CL | | Name: | (chloromethyl)benzene | | Formula: | C7 H7 Cl | | SMILES: | ClCc1ccccc1 | | InChi: | InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 | | Definition date: | 2009-02-16 | | Last modified: | 2011-06-04 | | Identifier: | (chloromethyl)benzene |
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 | | 1IT | | Name: | DIBENZOFURAN | | Formula: | C12 H8 O | | SMILES: | o2c1ccccc1c3c2cccc3 | | InChi: | InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H | | Definition date: | 2011-04-06 | | Last modified: | 2011-06-04 | | Identifier: | dibenzo[b,d]furan |
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 | | 1JZ | | Name: | 1-[4-(hydroxymethyl)phenyl]guanidine | | Formula: | C8 H11 N3 O | | SMILES: | [N@H]=C(Nc1ccc(cc1)CO)N | | InChi: | InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11) | | Definition date: | 2009-01-30 | | Last modified: | 2011-06-04 | | Identifier: | 1-[4-(hydroxymethyl)phenyl]guanidine |
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 | | 9DA | | Name: | 9-DEAZAADENINE | | Formula: | C6 H6 N4 | | SMILES: | n1c(c2c(nc1)ccn2)N | | InChi: | InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10) | | Definition date: | 2002-02-25 | | Last modified: | 2011-06-04 | | Identifier: | 5H-pyrrolo[3,2-d]pyrimidin-4-amine |
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 | | 9DG | | Name: | 9-DEAZAGUANINE | | Formula: | C6 H6 N4 O | | SMILES: | O=C1c2c(N=C(N1)N)ccn2 | | InChi: | InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11) | | Definition date: | 2000-01-11 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | 9DI | | Name: | 9-DEAZAINOSINE | | Formula: | C11 H13 N3 O5 | | SMILES: | O=C1NC=Nc2c1ncc2C3OC(CO)C(O)C3O | | InChi: | InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-D-ribitol |
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 | | 9HO | | Name: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid | | Formula: | C18 H32 O3 | | SMILES: | O=C(O)CCCCCCCC(O)C=CC=C/CCCCC | | InChi: | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1 | | Definition date: | 2008-04-29 | | Last modified: | 2011-06-04 | | Identifier: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
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 | | 9HP | | Name: | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | | Formula: | C18 H12 N2 O | | SMILES: | n2cc(c1ccc(O)cc1)cc4c2ccc3ccncc34 | | InChi: | InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H | | Definition date: | 2003-06-16 | | Last modified: | 2011-06-04 | | Identifier: | 4-(2,7-phenanthrolin-9-yl)phenol |
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 | | 9HX | | Name: | 9-DEAZAHYPOXANTHINE | | Formula: | C6 H5 N3 O | | SMILES: | O=C1c2c(N=CN1)ccn2 | | InChi: | InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10) | | Definition date: | 2001-03-26 | | Last modified: | 2011-06-04 | | Identifier: | 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | 9JZ | | Name: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide | | Formula: | C28 H38 N6 O3 | | SMILES: | O=C(N3C(C(=O)Nc2ccccc2c1ncccn1)C(C)CC3)C(NC(=O)C(NC)C)C4CCCCC4 | | InChi: | InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1 | | Definition date: | 2009-06-04 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide |
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 | | 9TA | | Name: | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ETHYLAMINO]-ANTHRAQUINONE | | Formula: | C14 H8 O2 | | SMILES: | O=C2c1c(cccc1)C(=O)c3c2cccc3 | | InChi: | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H | | Definition date: | 2000-07-28 | | Last modified: | 2011-06-04 | | Identifier: | anthracene-9,10-dione |
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 | | A04 | | Name: | 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID | | Formula: | C12 H7 F3 O4 | | SMILES: | O=C(O)c2oc(c1c(OC(F)(F)F)cccc1)cc2 | | InChi: | InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17) | | Definition date: | 2007-06-26 | | Last modified: | 2011-06-04 | | Identifier: | 5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid |
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 | | A05 | | Name: | 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID | | Formula: | C11 H6 Cl N O5 | | SMILES: | O=C(O)c2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2 | | InChi: | InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15) | | Definition date: | 2007-06-26 | | Last modified: | 2011-06-04 | | Identifier: | 5-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid |
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 | | A18 | | Name: | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | | Formula: | C12 H9 Cl O3 | | SMILES: | Clc1ccccc1Cc2oc(cc2)C(=O)O | | InChi: | InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15) | | Definition date: | 2007-06-26 | | Last modified: | 2011-06-04 | | Identifier: | 5-(2-chlorobenzyl)furan-2-carboxylic acid |
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 | | A19 | | Name: | 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID | | Formula: | C13 H9 Br Cl N O4 S | | SMILES: | Brc2cc(c(NS(=O)(=O)c1ccc(Cl)cc1)cc2)C(=O)O | | InChi: | InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18) | | Definition date: | 2006-03-09 | | Last modified: | 2011-06-04 | | Identifier: | 5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid |
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 | | A1A | | Name: | 6-AMINO HEXANOIC ACID | | Formula: | C33 H40 N4 O6 | | SMILES: | O=C(OC)NC(C(=O)NN(Cc1ccccc1)CC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4)C(C)C | | InChi: | InChI=1S/C33H40N4O6/c1-22(2)28(35-32(41)43-3)30(39)36-37(20-24-14-8-5-9-15-24)21-33(42,19-23-12-6-4-7-13-23)31(40)34-29-26-17-11-10-16-25(26)18-27(29)38/h4-17,22,27-29,38,42H,18-21H2,1-3H3,(H,34,40)(H,35,41)(H,36,39)/t27-,28+,29+,33+/m1/s1 | | Definition date: | 2005-04-28 | | Last modified: | 2011-06-04 | | Identifier: | methyl [(1S)-1-({2-benzyl-2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]hydrazino}carbonyl)-2-methylpropyl]carbamate (non-preferred name) |
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 | | A1R | | Name: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE | | Formula: | C15 H24 N6 O12 P2 | | SMILES: | O=P(O)(OCC1NCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C15H24N6O12P2/c16-13-9-14(19-4-18-13)21(5-20-9)15-12(25)11(24)8(32-15)3-31-35(28,29)33-34(26,27)30-2-6-10(23)7(22)1-17-6/h4-8,10-12,15,17,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,16,18,19)/t6-,7+,8-,10-,11-,12-,15-/m1/s1 | | Definition date: | 2007-01-09 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | A21 | | Name: | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one | | Formula: | C13 H12 F4 N2 O S | | SMILES: | O=C1N=C(SC1(C)C(F)(F)F)NC(c2ccccc2F)C | | InChi: | InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1 | | Definition date: | 2008-01-21 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one |
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 | | A23 | | Name: | ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE | | Formula: | C10 H13 N5 O9 P2 | | SMILES: | O=P1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O | | InChi: | InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-10-08 | | Last modified: | 2011-06-04 | | Identifier: | [(2S,3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate |
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