| 9IE | 表記: | 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | 組成式: | C20 H18 Cl N5 O2 | SMILES: | C[CH]1CCOC2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O | InChi: | InChI=1S/C20H18ClN5O2/c1-11-6-8-28-18-17(24-11)13-9-12(3-4-16(13)26(2)20(18)27)25-15-5-7-23-19(21)14(15)10-22/h3-5,7,9,11,24H,6,8H2,1-2H3,(H,23,25)/t11-/m0/s1 | 定義日: | 2021-11-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 2-chloranyl-4-[[(2~{S})-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
|
| 9IH | 表記: | 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | 組成式: | C22 H18 Cl F2 N5 O2 | SMILES: | CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(Cl)c5C#N)ccc14 | InChi: | InChI=1S/C22H18ClF2N5O2/c1-30-16-5-4-12(28-15-6-7-27-20(23)14(15)9-26)8-13(16)17-18(21(30)31)32-10-22(24,25)19(29-17)11-2-3-11/h4-8,11,19,29H,2-3,10H2,1H3,(H,27,28)/t19-/m0/s1 | 定義日: | 2021-11-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 2-chloranyl-4-[[(2~{S})-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
|
| 9IK | 表記: | ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C18 H14 N4 O | SMILES: | [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3 | InChi: | InChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22) | 定義日: | 2021-11-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-09 | 識別子(ID): | ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
|
| 9IO | 表記: | ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C13 H12 N4 O | SMILES: | COc1ccc(Nc2ncnc3[nH]ccc23)cc1 | InChi: | InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17) | 定義日: | 2021-11-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-09 | 識別子(ID): | ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
|
| 9IS | 表記: | ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C19 H16 N4 O2 | SMILES: | COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 | InChi: | InChI=1S/C19H16N4O2/c1-24-14-6-8-16(9-7-14)25-15-4-2-13(3-5-15)23-19-17-10-11-20-18(17)21-12-22-19/h2-12H,1H3,(H2,20,21,22,23) | 定義日: | 2021-11-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-09 | 識別子(ID): | ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
|
| 9IV | 表記: | ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C18 H13 Cl N4 O | SMILES: | Clc1ccccc1Oc2ccc(Nc3ncnc4[nH]ccc34)cc2 | InChi: | InChI=1S/C18H13ClN4O/c19-15-3-1-2-4-16(15)24-13-7-5-12(6-8-13)23-18-14-9-10-20-17(14)21-11-22-18/h1-11H,(H2,20,21,22,23) | 定義日: | 2021-11-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-09 | 識別子(ID): | ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
|
| 9IY | 表記: | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C25 H27 N2 O10 P S | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccc(CNC(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4)cc2 | InChi: | InChI=1S/C25H27N2O10PS/c28-22-21(15-36-38(31,32)33)37-24(23(22)29)17-8-6-16(7-9-17)14-26-25(30)27-18-10-12-20(13-11-18)39(34,35)19-4-2-1-3-5-19/h1-13,21-24,28-29H,14-15H2,(H2,26,27,30)(H2,31,32,33)/t21-,22-,23-,24+/m1/s1 | 定義日: | 2021-11-15 | 最終更新日: | 2022-08-22 | 公開日: | 2021-11-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate |
|
| 9P0 | 表記: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid | 組成式: | C30 H34 N4 O8 S | SMILES: | CN(C)C(=O)[CH]1CSCc2c(cccc2c3ccc(cc3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1 | InChi: | InChI=1S/C30H34N4O8S/c1-17(35)34-13-5-8-25(34)27(37)31-23-14-42-30(41)21-7-4-6-20(18-9-11-19(12-10-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4,6-7,9-12,23-25H,5,8,13-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1 | 定義日: | 2021-11-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | 4-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid |
|
| 9SI | 表記: | [(2R,3S,4R,5R)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C18 H24 N6 O7 P | SMILES: | NCc1ccc(C[n+]2cnc3n(cnc3c2N)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O)cc1 | InChi: | InChI=1S/C18H23N6O7P/c19-5-10-1-3-11(4-2-10)6-23-8-22-17-13(16(23)20)21-9-24(17)18-15(26)14(25)12(31-18)7-30-32(27,28)29/h1-4,8-9,12,14-15,18,20,25-26H,5-7,19H2,(H2,27,28,29)/p+1/t12-,14-,15-,18-/m1/s1 | 別名: | 1-benzylamine-adenosine | 定義日: | 2021-11-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|
| 9SY | 表記: | [(2R,3S,4R,5R)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C17 H21 N5 O7 P | SMILES: | Nc1c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2nc[n+]1Cc4ccccc4 | InChi: | InChI=1S/C17H20N5O7P/c18-15-12-16(20-8-21(15)6-10-4-2-1-3-5-10)22(9-19-12)17-14(24)13(23)11(29-17)7-28-30(25,26)27/h1-5,8-9,11,13-14,17-18,23-24H,6-7H2,(H2,25,26,27)/p+1/t11-,13-,14-,17-/m1/s1 | 別名: | 1-benzyl-adenosine derivative | 定義日: | 2021-11-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|
| 9TI | 表記: | 2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine | 組成式: | C11 H10 N4 | SMILES: | Cc1nc2ccccn2c1c3[nH]ncc3 | InChi: | InChI=1S/C11H10N4/c1-8-11(9-5-6-12-14-9)15-7-3-2-4-10(15)13-8/h2-7H,1H3,(H,12,14) | 定義日: | 2021-11-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-01-19 | 識別子(ID): | 2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine |
|
| 9V3 | 表記: | 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone | 組成式: | C19 H25 N3 O S | SMILES: | CC(C)CNCC(=O)N1CCc2sccc2[CH]1c3cccc(C)n3 | InChi: | InChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1 | 定義日: | 2021-11-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-01-26 | 識別子(ID): | 2-(2-methylpropylamino)-1-[(4~{R})-4-(6-methylpyridin-2-yl)-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone |
|
| 9VO | 表記: | N-(phenylmethyl)pyridin-2-amine | 組成式: | C12 H12 N2 | SMILES: | C(Nc1ccccn1)c2ccccc2 | InChi: | InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14) | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2022-01-26 | 識別子(ID): | ~{N}-(phenylmethyl)pyridin-2-amine |
|
| 7OM | 表記: | (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide | 組成式: | C22 H22 N6 O | SMILES: | Cc1cc(N2CCC[CH](C2)C(=O)Nc3ccc4ccccc4c3)n5ncnc5n1 | InChi: | InChI=1S/C22H22N6O/c1-15-11-20(28-22(25-15)23-14-24-28)27-10-4-7-18(13-27)21(29)26-19-9-8-16-5-2-3-6-17(16)12-19/h2-3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1H3,(H,26,29)/t18-/m1/s1 | 定義日: | 2016-11-25 | 最終更新日: | 2022-08-22 | 公開日: | 2017-02-22 | 識別子(ID): | (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide |
|
| 42I | 表記: | N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide | 組成式: | C20 H15 N3 O2 | SMILES: | Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2 | InChi: | InChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25) | 定義日: | 2021-06-28 | 最終更新日: | 2022-08-22 | 公開日: | 2021-12-01 | 識別子(ID): | ~{N}-[6-(4-hydroxyphenyl)-1~{H}-indazol-3-yl]benzamide |
|
| 47I | 表記: | 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol | 組成式: | C23 H23 N4 O | SMILES: | Oc1ccc(cc1)c2ccc3c([nH]nc3c4ccc(cc4)N5CC[NH2+]CC5)c2 | InChi: | InChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1 | 別名: | 4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol (uncharged compound's name) | 定義日: | 2021-06-28 | 最終更新日: | 2022-08-22 | 公開日: | 2021-12-01 | 識別子(ID): | 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1~{H}-indazol-6-yl]phenol |
|
| 9WQ | 表記: | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid | 組成式: | C22 H14 Cl2 N2 O4 | SMILES: | OC(=O)C1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)c3cc(Oc4ccccc4)ccc13 | InChi: | InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29) | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid |
|
| 9X2 | 表記: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide | 組成式: | C26 H33 N7 O3 | SMILES: | O=C(NCC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5 | InChi: | InChI=1S/C26H33N7O3/c34-24(21-6-3-9-27-21)30-16-17-7-12-33(13-8-17)26(36)32-23-22(28-10-11-29-23)25(35)31-20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,10-11,17,20-21,27H,3,6-9,12-16H2,(H,30,34)(H,31,35)(H,29,32,36)/t21-/m0/s1 | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2021-12-08 | 識別子(ID): | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[[(2~{S})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide |
|
| 9XM | 表記: | [(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate | 組成式: | C36 H38 Br Cl N10 O8 S | SMILES: | Clc1cc2C(=O)N(CC(=O)C[CH]3NCCC[CH]3OC(=O)N[S](=O)(=O)N4CCN(CC4)C(=O)Nc5nccnc5C(=O)NC6Cc7ccccc7C6)C=Nc2cc1Br | InChi: | InChI=1S/C36H38BrClN10O8S/c37-26-18-28-25(17-27(26)38)34(51)47(20-42-28)19-24(49)16-29-30(6-3-7-39-29)56-36(53)45-57(54,55)48-12-10-46(11-13-48)35(52)44-32-31(40-8-9-41-32)33(50)43-23-14-21-4-1-2-5-22(21)15-23/h1-2,4-5,8-9,17-18,20,23,29-30,39H,3,6-7,10-16,19H2,(H,43,50)(H,45,53)(H,41,44,52)/t29-,30+/m1/s1 | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2021-12-08 | 識別子(ID): | [(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate |
|
| 9XS | 表記: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid | 組成式: | C22 H27 N3 O8 S | SMILES: | C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,18,23,26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-,18+/m1/s1 | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2021-12-01 | 識別子(ID): | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
|
| 9YU | 表記: | 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | 組成式: | C15 H32 O8 | SMILES: | COCCOCCOCCOCCOCCOCCOCCO | InChi: | InChI=1S/C15H32O8/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16/h16H,2-15H2,1H3 | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
|
| 9ZG | 表記: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate | 組成式: | C20 H26 N4 O3 | SMILES: | CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2 | InChi: | InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1 | 定義日: | 2021-11-22 | 最終更新日: | 2022-08-22 | 公開日: | 2022-01-26 | 識別子(ID): | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate |
|
| A0U | 表記: | ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate | 組成式: | C16 H24 N4 O3 | SMILES: | CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N | InChi: | InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,22)/b17-12+ | 定義日: | 2021-11-23 | 最終更新日: | 2022-08-22 | 公開日: | 2022-01-26 | 識別子(ID): | ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate |
|
| A3X | 表記: | N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone | 組成式: | C10 H13 N3 O2 S | SMILES: | COc1cc(ccc1O)C(C)=NNC(N)=S | InChi: | InChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+ | 別名: | 1-[(E)-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea | 定義日: | 2021-11-24 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | 1-[(~{E})-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea |
|
| A4O | 表記: | N-(2,4-dihydroxybenzylidene)-thiosemicarbazone | 組成式: | C8 H9 N3 O2 S | SMILES: | NC(=S)NN=Cc1ccc(O)cc1O | InChi: | InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+ | 別名: | 1-[(E)-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea | 定義日: | 2021-11-24 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | 1-[(~{E})-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea |
|