| IIS | Name: | 4-iodanylpyridin-2-amine | Formula: | C5 H5 I N2 | SMILES: | Nc1cc(I)ccn1 | InChi: | InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8) | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-iodanylpyridin-2-amine |
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| IIV | Name: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide | Formula: | C9 H12 Br N3 O3 | SMILES: | CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr | InChi: | InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide |
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| IIY | Name: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide | Formula: | C7 H10 N2 O2 | SMILES: | CC(=O)NCC(=O)N=CC=C | InChi: | InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+ | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide |
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| IJ3 | Name: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide | Formula: | C10 H19 Br N2 O2 | SMILES: | CC(C)[CH](NC(C)=O)C(=O)NCCCBr | InChi: | InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide |
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| IJF | Name: | (4-bromanylpyridin-2-yl)methanol | Formula: | C6 H6 Br N O | SMILES: | OCc1cc(Br)ccn1 | InChi: | InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (4-bromanylpyridin-2-yl)methanol |
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| IJI | Name: | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide | Formula: | C11 H19 N5 O2 | SMILES: | CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C | InChi: | InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide |
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| IJL | Name: | 4-iodanylbenzamide | Formula: | C7 H6 I N O | SMILES: | NC(=O)c1ccc(I)cc1 | InChi: | InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-iodanylbenzamide |
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| IJO | Name: | 4-bromanyl-2-methoxy-pyridine | Formula: | C6 H6 Br N O | SMILES: | COc1cc(Br)ccn1 | InChi: | InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-bromanyl-2-methoxy-pyridine |
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| IJR | Name: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide | Formula: | C8 H11 Br N2 O2 | SMILES: | C[CH](NC(C)=O)C(=O)NCC#CBr | InChi: | InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide |
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| IJU | Name: | 4-bromanyl-2-(methoxymethyl)pyridine | Formula: | C7 H8 Br N O | SMILES: | COCc1cc(Br)ccn1 | InChi: | InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-bromanyl-2-(methoxymethyl)pyridine |
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| IJX | Name: | ~{N}-(4-bromophenyl)ethanamide | Formula: | C8 H8 Br N O | SMILES: | CC(=O)Nc1ccc(Br)cc1 | InChi: | InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | ~{N}-(4-bromophenyl)ethanamide |
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| IK3 | Name: | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide | Formula: | C14 H18 N2 O3 | SMILES: | CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C | InChi: | InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1 | Definition date: | 2022-03-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide |
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| IS0 | Name: | 4-bromanyl-1,2-dimethoxy-benzene | Formula: | C8 H9 Br O2 | SMILES: | COc1ccc(Br)cc1OC | InChi: | InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3 | Definition date: | 2022-04-11 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-bromanyl-1,2-dimethoxy-benzene |
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| IS6 | Name: | (2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide | Formula: | C10 H13 Br N2 O2 | SMILES: | CC(=O)N1CCC[CH]1C(=O)NCC#CBr | InChi: | InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1 | Definition date: | 2022-04-12 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide |
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| ISK | Name: | 2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide | Formula: | C7 H9 Br N2 O2 | SMILES: | CC(=O)NCC(=O)NCC#CBr | InChi: | InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11) | Definition date: | 2022-04-11 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide |
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| IT4 | Name: | 4-bromanyl-2-oxidanyl-benzoic acid | Formula: | C7 H5 Br O3 | SMILES: | OC(=O)c1ccc(Br)cc1O | InChi: | InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) | Definition date: | 2022-04-11 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-bromanyl-2-oxidanyl-benzoic acid |
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| IT8 | Name: | (2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide | Formula: | C10 H15 Br N2 O2 | SMILES: | CC(C)[CH](NC(C)=O)C(=O)NCC#CBr | InChi: | InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1 | Definition date: | 2022-04-12 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide |
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| IV1 | Name: | (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol | Formula: | C32 H50 O4 | SMILES: | CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1 | InChi: | InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1 | Definition date: | 2022-04-13 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol |
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| IV5 | Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol | Formula: | C32 H50 O4 | SMILES: | CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C | InChi: | InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1 | Definition date: | 2022-04-13 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol |
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| 7RF | Name: | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate | Formula: | C19 H17 N5 O2 | SMILES: | NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N | InChi: | InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) | Definition date: | 2021-10-14 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate |
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| 875 | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Formula: | C15 H26 N6 O13 P2 | SMILES: | NC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1 | Definition date: | 2021-11-26 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate |
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| 8IY | Name: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide | Formula: | C32 H37 F N4 O5 | SMILES: | CO[CH](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5 | InChi: | InChI=1S/C32H37FN4O5/c1-42-29(19-38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1 | Definition date: | 2021-10-22 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-1-methoxy-2-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide |
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| 8PN | Name: | (2S)-but-3-yn-2-amine | Formula: | C4 H7 N | SMILES: | C[CH](N)C#C | InChi: | InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3/t4-/m0/s1 | Synonyms: | 2-Aminobutin | Definition date: | 2021-10-28 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (2~{S})-but-3-yn-2-amine |
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| 9IR | Name: | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene | Formula: | C10 H16 | SMILES: | CC1=CCC(CC1)C(C)=C | InChi: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 | Synonyms: | R-(+)-limonene | Definition date: | 2021-10-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
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| 9IU | Name: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene | Formula: | C10 H16 | SMILES: | CC1=CCC(CC1)C(C)=C | InChi: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1 | Synonyms: | S-(-)-limonene | Definition date: | 2021-10-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
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