 | | 19T | | Name: | (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid | | Formula: | C19 H18 Cl N3 O2 S | | SMILES: | Clc3sc(c2nc(Nc1ccc(cc1)CC(=O)O)c(c(n2)C)CC)cc3 | | InChi: | InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23) | | Definition date: | 2012-11-12 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 | | Identifier: | (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid |
|
 | | 1GD | | Name: | 2-phenyl-N-(4-sulfamoylbenzyl)acetamide | | Formula: | C15 H16 N2 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)CNC(=O)Cc2ccccc2 | | InChi: | InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20) | | Definition date: | 2013-01-24 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 | | Identifier: | 2-phenyl-N-(4-sulfamoylbenzyl)acetamide |
|
 | | 25X | | Name: | 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane | | Formula: | C3 H5 B10 N2 O2 S | | SMILES: | N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 | | InChi: | InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-2-4(3)6(2)7(2)5(2,3)9(3)8(3,4)10(4,6)12(6,7)11(5,7,9)13(8,9,10)12/h15H,1H2,(H2,14,16,17) | | Definition date: | 2013-08-30 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 |
|
 | | 25Y | | Name: | 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane | | Formula: | C3 H5 B10 N2 O2 S | | SMILES: | N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19 | | InChi: | InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-4-2-5(3,4)7(2)8(2)6(2,4)9(3,4)11(3)10(3,5,7)13(7,8,11)12(6,8,9)11/h15H,1H2,(H2,14,16,17) | | Definition date: | 2013-08-30 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 |
|
 | | 26E | | Name: | 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane | | Formula: | C3 H5 B9 N2 O2 S | | SMILES: | N[S](=O)(=O)NC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 | | InChi: | InChI=1S/C3H5B9N2O2S/c13-17(15,16)14-1-3-2-4-6-5(3)9(3)7(2,3)8(2,4)10(4,6)11(5,6,9)12(7,8,9)10/h14H,1H2,(H2,13,15,16) | | Definition date: | 2013-08-30 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 |
|
 | | ZAW | | Name: | di(pyridin-3-yl)methanone | | Formula: | C11 H8 N2 O | | SMILES: | O=C(c1cccnc1)c2cccnc2 | | InChi: | InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H | | Definition date: | 2013-12-06 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | di(pyridin-3-yl)methanone |
|
 | | LTS | | Name: | 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine | | Formula: | C21 H16 F3 N5 O3 S | | SMILES: | FC(F)(F)Oc1cc(ccc1)S(=O)(=O)c2ccc(cc2)CN/C(=NC#N)Nc3ccncc3 | | InChi: | InChI=1S/C21H16F3N5O3S/c22-21(23,24)32-17-2-1-3-19(12-17)33(30,31)18-6-4-15(5-7-18)13-27-20(28-14-25)29-16-8-10-26-11-9-16/h1-12H,13H2,(H2,26,27,28,29) | | Definition date: | 2013-08-15 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine |
|
 | | LWW | | Name: | N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide | | Formula: | C21 H17 N3 O3 S | | SMILES: | O=S(=O)(c1ccccc1)c2ccc(cc2)CNC(=O)c4cc3c(ccnc3)n4 | | InChi: | InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25) | | Definition date: | 2013-08-19 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-[4-(phenylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide |
|
 | | 1R3 | | Name: | N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Formula: | C21 H45 N2 O9 P S | | SMILES: | O=C(NCCCS(O)(O)CCCCCCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | | InChi: | InChI=1S/C21H45N2O9PS/c1-4-5-6-7-8-9-10-15-34(30,31)16-11-13-22-18(24)12-14-23-20(26)19(25)21(2,3)17-32-33(27,28)29/h19,25,30-31H,4-17H2,1-3H3,(H,22,24)(H,23,26)(H2,27,28,29)/t19-/m0/s1 | | Definition date: | 2013-05-02 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
|
 | | 1X7 | | Name: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide | | Formula: | C8 H6 Br N3 O S | | SMILES: | O=C(c2c1sc(Br)cc1c(nc2)N)N | | InChi: | InChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13) | | Definition date: | 2013-07-22 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide |
|
 | | 1X8 | | Name: | 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide | | Formula: | C9 H8 N4 O2 S | | SMILES: | O=C(c2c1sc(cc1c(nc2)N)C(=O)N)N | | InChi: | InChI=1S/C9H8N4O2S/c10-7-3-1-5(9(12)15)16-6(3)4(2-13-7)8(11)14/h1-2H,(H2,10,13)(H2,11,14)(H2,12,15) | | Definition date: | 2013-07-22 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide |
|
 | | 556 | | Name: | 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | | Formula: | C10 H10 N2 S | | SMILES: | n1cc(n2c1CCC2)c3sccc3 | | InChi: | InChI=1S/C10H10N2S/c1-4-10-11-7-8(12(10)5-1)9-3-2-6-13-9/h2-3,6-7H,1,4-5H2 | | Definition date: | 2013-12-12 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole |
|
 | | 4TG | | Name: | dTDP-4,6-dideoxy-4-formamido-glucose | | Formula: | C17 H27 N3 O15 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(NC=O)C(O)C3O)C)O)O)C | | InChi: | InChI=1S/C17H27N3O15P2/c1-7-4-20(17(26)19-15(7)25)11-3-9(22)10(33-11)5-31-36(27,28)35-37(29,30)34-16-14(24)13(23)12(18-6-21)8(2)32-16/h4,6,8-14,16,22-24H,3,5H2,1-2H3,(H,18,21)(H,27,28)(H,29,30)(H,19,25,26)/t8-,9+,10-,11-,12-,13+,14-,16-/m1/s1 | | Definition date: | 2013-12-12 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | (2R,3R,4S,5S,6R)-5-(formylamino)-3,4-dihydroxy-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) |
|
 | | 96P | | Name: | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) | | Formula: | C25 H20 F3 N O12 | | SMILES: | FC(F)(F)c3cc(OC(=O)NCC(OC(=O)c1cc(O)c(O)c(O)c1)COC(=O)c2cc(O)c(O)c(O)c2)ccc3 | | InChi: | InChI=1S/C25H20F3NO12/c26-25(27,28)13-2-1-3-14(8-13)41-24(38)29-9-15(40-23(37)12-6-18(32)21(35)19(33)7-12)10-39-22(36)11-4-16(30)20(34)17(31)5-11/h1-8,15,30-35H,9-10H2,(H,29,38)/t15-/m0/s1 | | Definition date: | 2012-08-02 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) |
|
 | | 04T | | Name: | N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide | | Formula: | C15 H15 N3 O5 S | | SMILES: | O=S(=O)(c2cc(c(Nc1ccc(NC(=O)C)cc1)cc2)[N+]([O-])=O)C | | InChi: | InChI=1S/C15H15N3O5S/c1-10(19)16-11-3-5-12(6-4-11)17-14-8-7-13(24(2,22)23)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19) | | Definition date: | 2012-09-26 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide |
|
 | | 2C6 | | Name: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide | | Formula: | C25 H25 N5 O3 S | | SMILES: | O=C4c5ccccc5N=C(SCCC(=O)NC3CCC(c1nnc(o1)c2ccccc2)CC3)N4 | | InChi: | InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18- | | Definition date: | 2013-09-19 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide |
|
 | | 2C8 | | Name: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide | | Formula: | C25 H19 N5 O3 | | SMILES: | O=C1c5ccccc5N=C(N1)CCC(=O)Nc4ccc(c2nnc(o2)c3ccccc3)cc4 | | InChi: | InChI=1S/C25H19N5O3/c31-22(15-14-21-27-20-9-5-4-8-19(20)23(32)28-21)26-18-12-10-17(11-13-18)25-30-29-24(33-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,31)(H,27,28,32) | | Definition date: | 2013-09-19 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide |
|
 | | 2D6 | | Name: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide | | Formula: | C24 H24 N4 O3 S | | SMILES: | N#Cc4ccc(OC3CCC(NC(=O)CCSC2=Nc1c(cccc1)C(=O)N2)CC3)cc4 | | InChi: | InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19- | | Definition date: | 2013-09-23 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide |
|
 | | 2KA | | Name: | 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid | | Formula: | C7 H6 N4 O3 | | SMILES: | O=C(O)c1cnc2N=C(N)NC(=O)c12 | | InChi: | InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12) | | Definition date: | 2013-11-14 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid |
|
 | | 2LW | | Name: | 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone | | Formula: | C13 H13 Cl N2 O | | SMILES: | Clc2cc1c3c(nc1cc2)CCN(C(=O)C)C3 | | InChi: | InChI=1S/C13H13ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3 | | Definition date: | 2013-11-29 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone |
|
 | | 2LX | | Name: | N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | | Formula: | C13 H17 N O3 | | SMILES: | O=C(c2c(OC1CCOCC1)cccc2)NC | | InChi: | InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15) | | Definition date: | 2013-11-29 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide |
|
 | | 2LY | | Name: | N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide | | Formula: | C8 H9 N O3 S | | SMILES: | O=C(c1scc2OCCOc12)NC | | InChi: | InChI=1S/C8H9NO3S/c1-9-8(10)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3,(H,9,10) | | Definition date: | 2013-11-29 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide |
|
 | | 2NW | | Name: | 3-bromoquinolin-4-amine | | Formula: | C9 H7 Br N2 | | SMILES: | Brc1c(c2ccccc2nc1)N | | InChi: | InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12) | | Definition date: | 2013-12-11 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-bromoquinolin-4-amine |
|
 | | 2NX | | Name: | dimethyl benzoylphosphoramidate | | Formula: | C9 H12 N O4 P | | SMILES: | O=C(NP(=O)(OC)OC)c1ccccc1 | | InChi: | InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12) | | Definition date: | 2013-12-11 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | dimethyl benzoylphosphoramidate |
|
 | | 2NY | | Name: | N~2~,N~2~-diethylquinazoline-2,4-diamine | | Formula: | C12 H16 N4 | | SMILES: | n2c1c(cccc1)c(nc2N(CC)CC)N | | InChi: | InChI=1S/C12H16N4/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15) | | Definition date: | 2013-12-11 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N~2~,N~2~-diethylquinazoline-2,4-diamine |
|
