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JXB
JXB
表記:9-(4-azidobutyl)-8-bromanyl-purin-6-amine
組成式:C9 H11 Br N8
SMILES:Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12
InChi:InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-(4-azidobutyl)-8-bromanyl-purin-6-amine
JXE
JXE
表記:8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
組成式:C9 H11 Br2 N5
SMILES:Nc1ncnc2n(CCCCBr)c(Br)nc12
InChi:InChI=1S/C9H11Br2N5/c10-3-1-2-4-16-8-6(15-9(16)11)7(12)13-5-14-8/h5H,1-4H2,(H2,12,13,14)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
JXH
JXH
表記:8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine
組成式:C10 H12 Br N5 O
SMILES:Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12
InChi:InChI=1S/C10H12BrN5O/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,13,14)/t6-/m1/s1
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine
JXK
JXK
表記:9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
組成式:C8 H11 Br N6
SMILES:NCCCn1c(Br)nc2c(N)ncnc12
InChi:InChI=1S/C8H11BrN6/c9-8-14-5-6(11)12-4-13-7(5)15(8)3-1-2-10/h4H,1-3,10H2,(H2,11,12,13)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
JXN
JXN
表記:8-bromanyl-9-ethyl-purin-6-amine
組成式:C7 H8 Br N5
SMILES:CCn1c(Br)nc2c(N)ncnc12
InChi:InChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:8-bromanyl-9-ethyl-purin-6-amine
JXQ
JXQ
表記:9-hex-5-ynylpurin-6-amine
組成式:C11 H13 N5
SMILES:Nc1ncnc2n(CCCCC#C)cnc12
InChi:InChI=1S/C11H13N5/c1-2-3-4-5-6-16-8-15-9-10(12)13-7-14-11(9)16/h1,7-8H,3-6H2,(H2,12,13,14)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-hex-5-ynylpurin-6-amine
JXT
JXT
表記:8-bromanyl-9-pent-4-ynyl-purin-6-amine
組成式:C10 H10 Br N5
SMILES:Nc1ncnc2n(CCCC#C)c(Br)nc12
InChi:InChI=1S/C10H10BrN5/c1-2-3-4-5-16-9-7(15-10(16)11)8(12)13-6-14-9/h1,6H,3-5H2,(H2,12,13,14)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:8-bromanyl-9-pent-4-ynyl-purin-6-amine
JY2
JY2
表記:8-methyl-9-pent-4-ynyl-purin-6-amine
組成式:C11 H13 N5
SMILES:Cc1nc2c(N)ncnc2n1CCCC#C
InChi:InChI=1S/C11H13N5/c1-3-4-5-6-16-8(2)15-9-10(12)13-7-14-11(9)16/h1,7H,4-6H2,2H3,(H2,12,13,14)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:8-methyl-9-pent-4-ynyl-purin-6-amine
JY5
JY5
表記:3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
組成式:C13 H15 N5 O2
SMILES:Nc1ncnc2n([CH]3CCCCO3)c(nc12)C#CCO
InChi:InChI=1S/C13H15N5O2/c14-12-11-13(16-8-15-12)18(9(17-11)4-3-6-19)10-5-1-2-7-20-10/h8,10,19H,1-2,5-7H2,(H2,14,15,16)/t10-/m1/s1
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
JY8
JY8
表記:9-ethyl-8-methyl-purin-6-amine
組成式:C8 H11 N5
SMILES:CCn1c(C)nc2c(N)ncnc12
InChi:InChI=1S/C8H11N5/c1-3-13-5(2)12-6-7(9)10-4-11-8(6)13/h4H,3H2,1-2H3,(H2,9,10,11)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-ethyl-8-methyl-purin-6-amine
JYB
JYB
表記:9-ethyl-8-ethynyl-purin-6-amine
組成式:C9 H9 N5
SMILES:CCn1c(nc2c(N)ncnc12)C#C
InChi:InChI=1S/C9H9N5/c1-3-6-13-7-8(10)11-5-12-9(7)14(6)4-2/h1,5H,4H2,2H3,(H2,10,11,12)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-ethyl-8-ethynyl-purin-6-amine
JYE
JYE
表記:9-(3-azidopropyl)-8-bromanyl-purin-6-amine
組成式:C8 H9 Br N8
SMILES:Nc1ncnc2n(CCCN=[N+]=[N-])c(Br)nc12
InChi:InChI=1S/C8H9BrN8/c9-8-15-5-6(10)12-4-13-7(5)17(8)3-1-2-14-16-11/h4H,1-3H2,(H2,10,12,13)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-(3-azidopropyl)-8-bromanyl-purin-6-amine
JYK
JYK
表記:9-(2-azidoethyl)-8-bromanyl-purin-6-amine
組成式:C7 H7 Br N8
SMILES:Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12
InChi:InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-(2-azidoethyl)-8-bromanyl-purin-6-amine
JYT
JYT
表記:3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol
組成式:C8 H10 Br N5 O
SMILES:Nc1ncnc2n(CCCO)c(Br)nc12
InChi:InChI=1S/C8H10BrN5O/c9-8-13-5-6(10)11-4-12-7(5)14(8)2-1-3-15/h4,15H,1-3H2,(H2,10,11,12)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol
JYW
JYW
表記:4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol
組成式:C9 H12 Br N5 O
SMILES:Nc1ncnc2n(CCCCO)c(Br)nc12
InChi:InChI=1S/C9H12BrN5O/c10-9-14-6-7(11)12-5-13-8(6)15(9)3-1-2-4-16/h5,16H,1-4H2,(H2,11,12,13)
定義日:2019-04-11
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol
K0Q
K0Q
表記:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide
組成式:C17 H17 N3 O3
SMILES:OC1=CC=CN(CC(=O)NCCc2c[nH]c3ccccc23)C1=O
InChi:InChI=1S/C17H17N3O3/c21-15-6-3-9-20(17(15)23)11-16(22)18-8-7-12-10-19-14-5-2-1-4-13(12)14/h1-6,9-10,19,21H,7-8,11H2,(H,18,22)
定義日:2019-04-12
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide
K2H
K2H
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
組成式:C19 H21 N11 O3
SMILES:CN(CC#Cc1[nH]c2ncnc(N)c2n1)C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45
InChi:InChI=1S/C19H21N11O3/c1-29(4-2-3-10-27-11-15(20)22-6-24-17(11)28-10)5-9-13(31)14(32)19(33-9)30-8-26-12-16(21)23-7-25-18(12)30/h6-9,13-14,19,31-32H,4-5H2,1H3,(H2,21,23,25)(H3,20,22,24,27,28)/t9-,13-,14-,19-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
K2K
K2K
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol
組成式:C19 H21 N11 O3
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCC#Cc4[nH]c5ncnc(N)c5n4)[CH](O)[CH]3O
InChi:InChI=1S/C19H21N11O3/c20-15-11-17(25-6-23-15)29-10(28-11)3-1-2-4-22-5-9-13(31)14(32)19(33-9)30-8-27-12-16(21)24-7-26-18(12)30/h6-9,13-14,19,22,31-32H,2,4-5H2,(H2,21,24,26)(H3,20,23,25,28,29)/t9-,13-,14-,19-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol
K2W
K2W
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol
組成式:C24 H29 N11 O7
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:InChI=1S/C24H29N11O7/c25-19-13-21(30-7-28-19)34(9-32-13)23-17(39)15(37)10(41-23)5-27-4-2-1-3-12-33-14-20(26)29-8-31-22(14)35(12)24-18(40)16(38)11(6-36)42-24/h7-11,15-18,23-24,27,36-40H,2,4-6H2,(H2,25,28,30)(H2,26,29,31)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol
K38
K38
表記:(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-ynylamino]methyl]oxolane-3,4-diol
組成式:C23 H27 N11 O7
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CNCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:InChI=1S/C23H27N11O7/c24-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)9(40-22)4-26-3-1-2-11-32-13-19(25)28-7-30-21(13)34(11)23-17(39)15(37)10(5-35)41-23/h6-10,14-17,22-23,26,35-39H,3-5H2,(H2,24,27,29)(H2,25,28,30)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(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-ynylamino]methyl]oxolane-3,4-diol
K3B
K3B
表記:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol
組成式:C18 H18 N10 O4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4[nH]c5ncnc(N)c5n4)[CH](O)[CH]3O
InChi:InChI=1S/C18H18N10O4/c19-14-10-16(23-5-21-14)27-9(26-10)2-1-3-31-4-8-12(29)13(30)18(32-8)28-7-25-11-15(20)22-6-24-17(11)28/h5-8,12-13,18,29-30H,3-4H2,(H2,20,22,24)(H3,19,21,23,26,27)/t8-,12-,13-,18-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol
K3E
K3E
表記:(2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol
組成式:C23 H27 N11 O7
SMILES:NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C23H27N11O7/c24-4-9-14(35)17(38)23(40-9)34-11(32-13-19(26)28-7-30-21(13)34)2-1-3-39-5-10-15(36)16(37)22(41-10)33-8-31-12-18(25)27-6-29-20(12)33/h6-10,14-17,22-23,35-38H,3-5,24H2,(H2,25,27,29)(H2,26,28,30)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol
K3H
K3H
表記:(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-methyl-amino]methyl]oxolane-3,4-diol
組成式:C24 H29 N11 O7
SMILES:CN(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/C24H29N11O7/c1-33(5-10-15(37)17(39)23(41-10)34-9-31-13-19(25)27-7-29-21(13)34)4-2-3-12-32-14-20(26)28-8-30-22(14)35(12)24-18(40)16(38)11(6-36)42-24/h7-11,15-18,23-24,36-40H,4-6H2,1H3,(H2,25,27,29)(H2,26,28,30)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(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-methyl-amino]methyl]oxolane-3,4-diol
K3K
K3K
表記:(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
組成式:C23 H26 N10 O8
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:InChI=1S/C23H26N10O8/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)15(36)10(41-22)5-39-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(38)14(35)9(4-34)40-23/h6-10,14-17,22-23,34-38H,3-5H2,(H2,24,26,28)(H2,25,27,29)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
定義日:2019-04-16
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
KF5
KF5
表記:9-[(2~{S})-oxan-2-yl]purin-6-amine
組成式:C10 H13 N5 O
SMILES:Nc1ncnc2n(cnc12)[CH]3CCCCO3
InChi:InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)/t7-/m0/s1
定義日:2019-05-17
最終更新日:2020-02-14
公開日:2020-02-19
識別子（ID）:9-[(2~{S})-oxan-2-yl]purin-6-amine

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