 | | 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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 | | 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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 | | DVR | | Name: | 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID | | Formula: | C16 H15 N3 O6 S | | SMILES: | O=S(=O)CC(C=CC(=O)N)=C(C(=O)O)Nc2c(cc1ccccn12)C=O | | InChi: | InChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18,26H,9H2,(H2,17,21)(H,22,23)/b5-4+,14-10- | | Definition date: | 2000-12-13 | | Last modified: | 2011-06-04 | | Identifier: | (2Z,4E)-6-amino-3-[(dioxidosulfanyl)methyl]-2-[(2-formylindolizin-3-yl)amino]-6-oxohexa-2,4-dienoic acid |
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 | | DX2 | | Name: | 6-phenylpteridine-2,4,7-triamine | | Formula: | C12 H11 N7 | | SMILES: | n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N | | InChi: | InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) | | Definition date: | 2007-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 6-phenylpteridine-2,4,7-triamine |
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 | | DX3 | | Name: | 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine | | Formula: | C9 H14 N6 | | SMILES: | n2c(nc1c(N=C(C(N1)(C)C)C)c2N)N | | InChi: | InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15) | | Definition date: | 2007-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine |
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 | | DX6 | | Name: | 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C14 H14 N4 O | | SMILES: | O=C1c2c(cnc2N=C(N1)N)CCc3ccccc3 | | InChi: | InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19) | | Definition date: | 2007-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | DX7 | | Name: | 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C13 H9 N5 O | | SMILES: | N#Cc1c(nc2N=C(NC(=O)c12)N)c3ccccc3 | | InChi: | InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19) | | Definition date: | 2007-12-20 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | DXA | | Name: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | | Formula: | C24 H30 O7 | | SMILES: | O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C(C)CC)C3 | | InChi: | InChI=1S/C24H30O7/c1-5-11(2)16-7-6-13-8-14-9-15(24(31-4)23(30)20(27)12(3)25)10-17(26)18(14)22(29)19(13)21(16)28/h6-8,11-12,15,20,24-25,27-29H,5,9-10H2,1-4H3/t11-,12-,15-,20+,24+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S)-5-deoxy-1-C-{(2R)-5,10-dihydroxy-6-[(1R)-1-methylpropyl]-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl}-1-O-methyl-D-xylulose |
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 | | DXD | | Name: | (1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL | | Formula: | C6 H13 O6 P | | SMILES: | O=P(OCC1CC(O)CC1O)(O)O | | InChi: | InChI=1S/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1 | | Definition date: | 2004-09-12 | | Last modified: | 2011-06-04 | | Identifier: | [(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate |
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 | | DY6 | | Name: | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | | Formula: | C23 H20 N2 O5 S | | SMILES: | O=C(O)c1ccccc1NC(=O)c2cc(ccc2)S(=O)(=O)N4Cc3c(cccc3)CC4 | | InChi: | InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28) | | Definition date: | 2008-07-28 | | Last modified: | 2011-06-04 | | Identifier: | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid |
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 | | DYB | | Name: | 4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM | | Formula: | C6 H15 B N O3 | | SMILES: | O(B1OCCO1)CCCC[NH3+] | | InChi: | InChI=1S/C6H14BNO3/c8-3-1-2-4-9-7-10-5-6-11-7/h1-6,8H2/p+1 | | Definition date: | 2004-02-02 | | Last modified: | 2011-06-04 | | Identifier: | 4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium |
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 | | DYY | | Name: | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | | Formula: | C18 H18 F2 N2 O6 S2 | | SMILES: | Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3 | | InChi: | InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2 | | Definition date: | 2009-03-25 | | Last modified: | 2011-06-04 | | Identifier: | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine |
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 | | DZ2 | | Name: | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide | | Formula: | C13 H7 Br2 Cl2 N O2 | | SMILES: | Brc1cc(cc(Br)c1O)NC(=O)c2cc(Cl)ccc2Cl | | InChi: | InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20) | | Definition date: | 2008-10-07 | | Last modified: | 2011-06-04 | | Identifier: | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide |
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 | | DZ4 | | Name: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine | | Formula: | C10 H17 N6 O11 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | | InChi: | InChI=1S/C10H17N6O11P3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(26-7)2-25-28(18,19)15-29(20,21)27-30(22,23)24/h3-7,17H,1-2H2,(H2,11,12,13)(H2,22,23,24)(H3,15,18,19,20,21)/t5-,6+,7+/m0/s1 | | Definition date: | 2010-04-29 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine |
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 | | DZ9 | | Name: | 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide | | Formula: | C18 H12 F N3 O S2 | | SMILES: | Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4 | | InChi: | InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23) | | Definition date: | 2009-05-12 | | Last modified: | 2011-06-04 | | Identifier: | 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide |
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