 | | UDJ | | Name: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one | | Formula: | C24 H31 N O | | SMILES: | c1ccncc1C=4C3(CCC5C2(CCC(=O)CC2CCC5C3CC=4)C)C | | InChi: | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1 | | Definition date: | 2020-05-08 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one |
|
 | | RJ2 | | Name: | 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine | | Formula: | C17 H17 N3 O | | SMILES: | C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3 | | InChi: | InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2 | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine |
|
 | | RJ8 | | Name: | 4-(1-benzofuran-5-yl)pyridin-2-amine | | Formula: | C13 H10 N2 O | | SMILES: | Nc1cc(ccn1)c2ccc3occc3c2 | | InChi: | InChI=1S/C13H10N2O/c14-13-8-10(3-5-15-13)9-1-2-12-11(7-9)4-6-16-12/h1-8H,(H2,14,15) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(1-benzofuran-5-yl)pyridin-2-amine |
|
 | | YEY | | Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole | | Formula: | C12 H11 N O2 | | SMILES: | c1c(ccc2c1OCCO2)c3cccn3 | | InChi: | InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2 | | Definition date: | 2021-02-24 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole |
|
 | | RK2 | | Name: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C20 H21 N7 O | | SMILES: | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 | | InChi: | InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1 | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
|
 | | RK5 | | Name: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine | | Formula: | C15 H15 N3 O | | SMILES: | Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine |
|
 | | RK8 | | Name: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C20 H20 Br N7 O | | SMILES: | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4cccc(Br)n4 | | InChi: | InChI=1S/C20H20BrN7O/c1-11(29-19-5-3-4-16(21)26-19)10-28-12(2)24-15-7-6-14(25-20(15)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1 | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
|
 | | RKH | | Name: | 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine | | Formula: | C14 H13 N3 O | | SMILES: | Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17) | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine |
|
 | | ZG7 | | Name: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C22 H14 Br Cl N4 O2 | | SMILES: | Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)Oc1cccc(Br)c1 | | InChi: | InChI=1S/C22H14BrClN4O2/c23-14-2-1-3-16(10-14)30-18-12-26-20-17(11-25)19(27-28(20)21(18)29)22(8-9-22)13-4-6-15(24)7-5-13/h1-7,10,12,29H,8-9H2 | | Definition date: | 2021-04-19 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile |
|
 | | RKK | | Name: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine | | Formula: | C19 H26 N6 | | SMILES: | CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24) | | Synonyms: | 4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine |
|
 | | RKW | | Name: | ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide | | Formula: | C16 H16 N4 O2 | | SMILES: | CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2 | | InChi: | InChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21) | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide |
|
 | | RKZ | | Name: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C21 H22 N6 O | | SMILES: | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4 | | InChi: | InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1 | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
|
 | | ZXX | | Name: | methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | Formula: | C22 H32 N4 O6 | | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)=O)C(C)C | | InChi: | InChI=1S/C22H32N4O6/c1-13(2)19(23-14(3)27)20(29)24-18(12-15-7-5-8-16(28)11-15)21(30)26-10-6-9-17(25-26)22(31)32-4/h5,7-8,11,13,17-19,25,28H,6,9-10,12H2,1-4H3,(H,23,27)(H,24,29)/t17-,18-,19-/m0/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2021-05-21 | | Release date: | 2020-06-24 | | Identifier: | methyl (3S)-1-(N-acetyl-L-valyl-3-hydroxy-L-phenylalanyl)-1,2-diazinane-3-carboxylate |
|
 | | RNZ | | Name: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium | | Formula: | C29 H37 N2 O2 | | SMILES: | CC(C)(C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1 | | Definition date: | 2020-10-14 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium |
|
 | | YX4 | | Name: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | Formula: | C29 H30 F2 N6 O2 | | SMILES: | CC(C)(O)c1ccc2c(n(c3cc(cnc32)c2c(C)nnn2C)C(C2CCOCC2)c2ncccc2F)c1F | | InChi: | InChI=1S/C29H30F2N6O2/c1-16-26(36(4)35-34-16)18-14-22-24(33-15-18)19-7-8-20(29(2,3)38)23(31)28(19)37(22)27(17-9-12-39-13-10-17)25-21(30)6-5-11-32-25/h5-8,11,14-15,17,27,38H,9-10,12-13H2,1-4H3/t27-/m0/s1 | | Definition date: | 2021-04-02 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
|
 | | VQP | | Name: | N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea | | Formula: | C23 H27 F2 N5 O2 | | SMILES: | c1(cc(c(cc1NC(NCCC(C)(C)C)=O)Nc3ccc2c(C(N(C)C=N2)=O)c3F)C)F | | InChi: | InChI=1S/C23H27F2N5O2/c1-13-10-14(24)18(29-22(32)26-9-8-23(2,3)4)11-17(13)28-16-7-6-15-19(20(16)25)21(31)30(5)12-27-15/h6-7,10-12,28H,8-9H2,1-5H3,(H2,26,29,32) | | Definition date: | 2020-09-08 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea |
|
 | | UKJ | | Name: | 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene | | Formula: | C13 H7 Br F3 N O5 S | | SMILES: | [O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O | | InChi: | InChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H | | Definition date: | 2020-05-20 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene |
|
 | | Q5B | | Name: | (3S)-citryl-Coenzyme A | | Formula: | C27 H42 N7 O22 P3 S | | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[C](O)(CC(O)=O)C(O)=O | | InChi: | InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1 | | Synonyms: | (2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid | | Definition date: | 2020-05-18 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid |
|
 | | Q5E | | Name: | 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione | | Formula: | C15 H13 Cl6 N O4 | | SMILES: | OC(=O)CCCCCN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl | | InChi: | InChI=1S/C15H13Cl6NO4/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(25)22(12(8)26)5-3-1-2-4-6(23)24/h7-8H,1-5H2,(H,23,24)/t7-,8+,13+,14- | | Synonyms: | 6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-
en-4-yl]hexanoic acid | | Definition date: | 2020-05-18 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]hexanoic acid |
|
 | | ULD | | Name: | cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile | | Formula: | C15 H12 F5 N O4 S | | SMILES: | N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(=O)C(F)(F)F | | InChi: | InChI=1S/C15H12F5NO4S/c16-14(17)5-9-10(25-8-3-7(4-8)6-21)1-2-11(12(9)13(14)22)26(23,24)15(18,19)20/h1-2,7-8,13,22H,3-5H2/t7-,8+,13-/m0/s1 | | Definition date: | 2020-05-21 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | cis-3-({(1S)-2,2-difluoro-1-hydroxy-7-[(trifluoromethyl)sulfonyl]-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile |
|
 | | ULG | | Name: | (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol | | Formula: | C16 H11 F5 O2 | | SMILES: | FC(F)(F)c1ccc(c2c1C(O)CC2)Oc3cc(F)cc(c3)F | | InChi: | InChI=1S/C16H11F5O2/c17-8-5-9(18)7-10(6-8)23-14-4-2-12(16(19,20)21)15-11(14)1-3-13(15)22/h2,4-7,13,22H,1,3H2/t13-/m1/s1 | | Definition date: | 2020-05-21 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol |
|
 | | ULM | | Name: | (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol | | Formula: | C13 H11 F6 N O2 | | SMILES: | c1(cnc(c2c1CC(C2O)F)C(F)(F)F)OC3CC(C3)(F)F | | InChi: | InChI=1S/C13H11F6NO2/c14-7-1-6-8(22-5-2-12(15,16)3-5)4-20-11(13(17,18)19)9(6)10(7)21/h4-5,7,10,21H,1-3H2/t7-,10-/m1/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol |
|
 | | ULS | | Name: | 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile | | Formula: | C16 H10 F4 N2 O2 | | SMILES: | N#Cc1cc(cc(c1)Oc2cnc(c3c2CCC3O)C(F)(F)F)F | | InChi: | InChI=1S/C16H10F4N2O2/c17-9-3-8(6-21)4-10(5-9)24-13-7-22-15(16(18,19)20)14-11(13)1-2-12(14)23/h3-5,7,12,23H,1-2H2/t12-/m1/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile |
|
 | | Q9H | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C25 H31 N11 O8 | | SMILES: | NCCNc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O | | InChi: | InChI=1S/C25H31N11O8/c26-3-4-28-21-15-22(31-9-30-21)35(10-33-15)24-18(40)17(39)12(44-24)7-42-5-1-2-13-34-14-20(27)29-8-32-23(14)36(13)25-19(41)16(38)11(6-37)43-25/h8-12,16-19,24-25,37-41H,3-7,26H2,(H2,27,29,32)(H,28,30,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1 | | Definition date: | 2020-05-28 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
|
 | | Q9K | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol | | Formula: | C26 H34 N12 O7 | | SMILES: | NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C26H34N12O7/c27-4-2-6-36(7-12-17(40)19(42)25(44-12)37-11-34-15-21(28)30-9-32-23(15)37)5-1-3-14-35-16-22(29)31-10-33-24(16)38(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,39-43H,2,4-8,27H2,(H2,28,30,32)(H2,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1 | | Definition date: | 2020-05-28 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol |
|