| AF | Name: | 2-AMINOFLUORENE | Formula: | C13 H11 N | SMILES: | c1cccc3c1c2c(cc(N)cc2)C3 | InChi: | InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 9H-fluoren-2-amine |
|
| AF2 | Name: | 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) | Formula: | C10 H13 F N5 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O | InChi: | InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1 | Definition date: | 2010-04-20 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) |
|
| AFF | Name: | 2-ACETYLAMINOFLUORENE-3-YL | Formula: | C15 H13 N O | SMILES: | O=C(Nc3ccc2c1ccccc1Cc2c3)C | InChi: | InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17) | Definition date: | 2006-03-27 | Last modified: | 2011-06-04 | Identifier: | N-9H-fluoren-2-ylacetamide |
|
| AFI | Name: | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | Formula: | C22 H19 Cl O3 | SMILES: | O=C3c4ccccc4C(O)=C(O)C3=C2/CCC(c1ccc(Cl)cc1)CC2 | InChi: | InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,25-26H,5-8H2/t13- | Definition date: | 2004-01-06 | Last modified: | 2011-06-04 | Identifier: | (2E)-2-[(4S)-4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxynaphthalen-1(2H)-one |
|
| AFX | Name: | (4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one | Formula: | C11 H10 F N5 O3 | SMILES: | FC1=C(C(=O)C(O)C1n2c3ncnc(c3nc2)N)CO | InChi: | InChI=1S/C11H10FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7,9,18,20H,1H2,(H2,13,14,15)/t7-,9+/m1/s1 | Definition date: | 2010-06-29 | Last modified: | 2011-06-04 | Identifier: | (4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one |
|
| AFZ | Name: | 2,4-BIS(4-AMIDINOPHENYL)FURAN | Formula: | C18 H16 N4 O | SMILES: | [N@H]=C(N)c3ccc(c2occ(c1ccc(C(=[N@H])N)cc1)c2)cc3 | InChi: | InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-16(23-10-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22) | Definition date: | 2006-05-09 | Last modified: | 2011-06-04 | Identifier: | 4,4'-furan-2,4-diyldibenzenecarboximidamide |
|
| AG0 | Name: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one | Formula: | C29 H37 N5 O3 | SMILES: | O=C2OC(C1CCCC1)(CC(O)=C2Cc3nc4nc(cc(n4n3)C)C)CCc5cc(nc(c5)CC)CC | InChi: | InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1 | Definition date: | 2009-01-12 | Last modified: | 2011-06-04 | Identifier: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one |
|
| AG1 | Name: | RUTHENIUM PYRIDOCARBAZOLE | Formula: | C27 H17 F N4 O7 Ru | SMILES: | O=C(O)C(NC(=O)C1(C=CC=C1)[Ru]7(C#[O+])n3c2c6c(c5c(c2c4c3ccc(O)c4)C(=O)NC5=O)cc(F)c[n+]67)C | InChi: | InChI=1S/C17H8FN3O3.C9H10NO3.CO.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6 | Definition date: | 2008-09-08 | Last modified: | 2011-06-04 | Identifier: | carbonyl(1-{[(1S)-1-carboxyethyl]carbamoyl}cyclopenta-2,4-dien-1-yl)(3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')ruthenium(2+) |
|
| AG5 | Name: | N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide | Formula: | C20 H19 N3 O3 S2 | SMILES: | O=S(=O)(c2cnc(Sc1ccccc1)c(c2)C(=O)NCCc3ccccc3)N | InChi: | InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26) | Definition date: | 2008-11-11 | Last modified: | 2011-06-04 | Identifier: | N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide |
|
| AGB | Name: | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | Formula: | C19 H27 N5 O | SMILES: | O=C(NCc1ccc(NC(=[N@H])N)cc1)NC24CC3CC(CC(C2)C3)C4 | InChi: | InChI=1S/C19H27N5O/c20-17(21)23-16-3-1-12(2-4-16)11-22-18(25)24-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H4,20,21,23)(H2,22,24,25)/t13-,14+,15-,19- | Definition date: | 2000-04-25 | Last modified: | 2011-06-04 | Identifier: | 1-(4-carbamimidamidobenzyl)-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]urea |
|
| AGH | Name: | N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE | Formula: | C50 H99 N O9 | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1 | Definition date: | 2005-06-06 | Last modified: | 2011-06-04 | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide |
|
| AGN | Name: | PHOSPHOAMINOPHOSPHONIC ACID 3'-O-(N-METHYLANTHRANILOYL-2'-DEOXYGUANYLATE ESTER | Formula: | C18 H24 N7 O13 P3 | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)CC4OC(=O)c3ccccc3NC | InChi: | InChI=1S/C18H24N7O13P3/c1-20-10-5-3-2-4-9(10)17(27)37-11-6-13(25-8-21-14-15(25)22-18(19)23-16(14)26)36-12(11)7-35-41(33,34)38-40(31,32)24-39(28,29)30/h2-5,8,11-13,20H,6-7H2,1H3,(H,33,34)(H3,19,22,23,26)(H4,24,28,29,30,31,32)/t11-,12+,13+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-{[2-(methylamino)phenyl]carbonyl}guanosine |
|
| AGX | Name: | (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate | Formula: | C16 H13 Cl2 N3 O2 | SMILES: | Clc1ccc(cc1Cl)NC(=O)OC(c3nc2ccccc2n3)C | InChi: | InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1 | Definition date: | 2009-09-18 | Last modified: | 2011-06-04 | Identifier: | (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate |
|
| AHC | Name: | 4-AMINOHYDROCINNAMIC ACID | Formula: | C9 H11 N O2 | SMILES: | O=C(O)CCc1ccc(N)cc1 | InChi: | InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 3-(4-aminophenyl)propanoic acid |
|
| AHT | Name: | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL | Formula: | C11 H18 N2 O2 | SMILES: | Oc1ccc(cc1)CC(N)CCC(O)N | InChi: | InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 4-[(2R,5S)-2,5-diamino-5-hydroxypentyl]phenol |
|
| AHU | Name: | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL | Formula: | C10 H13 I N2 O5 | SMILES: | IC1=CN(C(=O)NC1=O)C2CC(O)C(OC2)CO | InChi: | InChI=1S/C10H13IN2O5/c11-6-2-13(10(17)12-9(6)16)5-1-7(15)8(3-14)18-4-5/h2,5,7-8,14-15H,1,3-4H2,(H,12,16,17)/t5-,7-,8+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 1,5-anhydro-2,3-dideoxy-2-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-D-arabino-hexitol |
|
| AHX | Name: | SERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE | Formula: | C13 H20 N7 O9 P | SMILES: | O=P(O)(ONC(=O)C(N)CO)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C13H20N7O9P/c14-5(1-21)12(24)19-29-30(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H,25,26)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 5'-O-{(S)-hydroxy[(L-serylamino)oxy]phosphoryl}adenosine |
|
| AIF | Name: | [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate | Formula: | C9 H15 N4 O9 P | SMILES: | O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N | InChi: | InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4-,6+/m1/s1 | Definition date: | 2008-10-22 | Last modified: | 2011-06-04 | Identifier: | (2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name) |
|
| AIK | Name: | N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | Formula: | C25 H34 N8 O4 S | SMILES: | O=C(Nc1nc(C(=O)NCCCN(C)C)c(s1)C(C)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C | InChi: | InChI=1S/C25H34N8O4S/c1-15(2)21-20(24(37)26-8-7-9-31(3)4)29-25(38-21)30-23(36)19-11-17(13-33(19)6)28-22(35)18-10-16(27-14-34)12-32(18)5/h10-15H,7-9H2,1-6H3,(H,26,37)(H,27,34)(H,28,35)(H,29,30,36) | Definition date: | 2003-12-05 | Last modified: | 2011-06-04 | Identifier: | N-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(1-methylethyl)-1,3-thiazole-4-carboxamide |
|
| AIQ | Name: | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE | Formula: | C12 H12 N6 O S | SMILES: | O=C1c2c(N=C(N)N1)c(cc(N)c2)CSc3nccn3 | InChi: | InChI=1S/C12H12N6OS/c13-7-3-6(5-20-12-15-1-2-16-12)9-8(4-7)10(19)18-11(14)17-9/h1-4H,5,13H2,(H,15,16)(H3,14,17,18,19) | Definition date: | 2001-10-16 | Last modified: | 2011-06-04 | Identifier: | 2,6-diamino-8-[(1H-imidazol-2-ylsulfanyl)methyl]quinazolin-4(3H)-one |
|
| AIS | Name: | 5-AMINOIMIDAZOLE RIBONUCLEOSIDE | Formula: | C8 H13 N3 O4 | SMILES: | n1cc(n(c1)C2OC(C(O)C2O)CO)N | InChi: | InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1 | Definition date: | 2004-10-05 | Last modified: | 2011-06-04 | Identifier: | 1-beta-D-ribofuranosyl-1H-imidazol-5-amine |
|
| AJM | Name: | AJMALINE | Formula: | C18 H22 N2 O2 | SMILES: | OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C | InChi: | InChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1 | Definition date: | 2005-06-03 | Last modified: | 2011-06-04 | Identifier: | (5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol |
|
| AJZ | Name: | 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol | Formula: | C16 H15 N3 O2 S | SMILES: | Oc1cccc(c1)c2nc3ccsc3c(n2)N4CCOCC4 | InChi: | InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2 | Definition date: | 2010-02-15 | Last modified: | 2011-06-04 | Identifier: | 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol |
|
| AK1 | Name: | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | Formula: | C19 H15 F3 N6 O S2 | SMILES: | FC(F)(F)c1cc(ccc1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3 | InChi: | InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29) | Definition date: | 2008-05-05 | Last modified: | 2011-06-04 | Identifier: | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea |
|
| AK2 | Name: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea | Formula: | C18 H15 Cl N6 O S2 | SMILES: | Clc1cccc(c1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3 | InChi: | InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26) | Definition date: | 2008-05-05 | Last modified: | 2011-06-04 | Identifier: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea |
|