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    O OH OH
    H6N
    Name:Protocatechuic aldehyde
    Formula:C7 H6 O3
    SMILES:Oc1ccc(C=O)cc1O
    InChi:InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
    Definition date:2018-11-18
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:3,4-bis(oxidanyl)benzaldehyde
    N Cl O O H 3 C N CH 3 CH 3 N N N H 3 C N
    H7B
    Name:2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
    Formula:C27 H31 Cl N6 O2
    SMILES:COc1ccc2n3c(C)nnc3[CH](CC(=O)N4CCC(CC4)N(C)C)N=C(c5ccc(Cl)cc5)c2c1
    InChi:InChI=1S/C27H31ClN6O2/c1-17-30-31-27-23(16-25(35)33-13-11-20(12-14-33)32(2)3)29-26(18-5-7-19(28)8-6-18)22-15-21(36-4)9-10-24(22)34(17)27/h5-10,15,20,23H,11-14,16H2,1-4H3/t23-/m0/s1
    Definition date:2018-11-19
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
    O N Cl O CH 3 N N CH 3 N N H H 3 C N + N H 3 C CH 3
    H7E
    Name:[1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
    Formula:C34 H39 Cl N7 O2
    SMILES:COc1ccc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)N=C(c6ccc(Cl)cc6)c2c1
    InChi:InChI=1S/C34H38ClN7O2/c1-22-38-39-34-30(21-32(43)36-25-10-12-26(13-11-25)40-18-16-27(17-19-40)42(2,3)4)37-33(23-6-8-24(35)9-7-23)29-20-28(44-5)14-15-31(29)41(22)34/h6-15,20,27,30H,16-19,21H2,1-5H3/p+1/t30-/m0/s1
    Definition date:2018-11-19
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:[1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
    H 3 C P O O CH 3 HO
    H7N
    Name:butoxy(hexyl)phosphinic acid
    Formula:C10 H23 O3 P
    SMILES:CCCCCC[P](O)(=O)OCCCC
    InChi:InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)
    Definition date:2018-11-20
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:butoxy(hexyl)phosphinic acid
    S O O O N Cl H 3 C CH 3 CH 3
    HJW
    Name:ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
    Formula:C17 H18 Cl N O3 S
    SMILES:CCOC(=O)[CH](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl
    InChi:InChI=1S/C17H18ClNO3S/c1-4-22-17(21)12(3)19(16(20)14-9-6-10-23-14)15-11(2)7-5-8-13(15)18/h5-10,12H,4H2,1-3H3/t12-/m0/s1
    Definition date:2018-12-11
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
    O O O O N Cl Cl CH 3 H 3 C CH 3
    HKE
    Name:propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
    Formula:C17 H17 Cl2 N O4
    SMILES:CC(C)OC(=O)[CH](C)N(C(=O)c1occc1)c2c(Cl)cccc2Cl
    InChi:InChI=1S/C17H17Cl2NO4/c1-10(2)24-17(22)11(3)20(16(21)14-8-5-9-23-14)15-12(18)6-4-7-13(15)19/h4-11H,1-3H3/t11-/m0/s1
    Definition date:2018-12-12
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
    O N N Cl Cl CH 3
    HKZ
    Name:1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole
    Formula:C21 H16 Cl2 N2 O
    SMILES:Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl
    InChi:InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3
    Definition date:2018-12-13
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole
    H 3 C F F O HO N Cl Cl O F N Cl N
    HL8
    Name:1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid
    Formula:C19 H13 Cl3 F3 N3 O3
    SMILES:Cc1n(c(nc1C(F)(F)F)c2oc(Cl)cc2)c3c(Cl)ccc(N4CC(C4)C(O)=O)c3Cl
    InChi:InChI=1S/C19H13Cl3F3N3O3/c1-8-16(19(23,24)25)26-17(12-4-5-13(21)31-12)28(8)15-10(20)2-3-11(14(15)22)27-6-9(7-27)18(29)30/h2-5,9H,6-7H2,1H3,(H,29,30)
    Definition date:2018-12-13
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid
    HO O CH 3 Cl Cl N O NH OH O N
    JBG
    Name:N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine
    Formula:C23 H27 Cl2 N3 O5
    SMILES:C1CN(CCN1C)CCOc3c(cc(C(=O)NC(Cc2ccccc2)C(O)=O)c(O)c3Cl)Cl
    InChi:InChI=1S/C23H27Cl2N3O5/c1-27-7-9-28(10-8-27)11-12-33-21-17(24)14-16(20(29)19(21)25)22(30)26-18(23(31)32)13-15-5-3-2-4-6-15/h2-6,14,18,29H,7-13H2,1H3,(H,26,30)(H,31,32)/t18-/m0/s1
    Definition date:2018-08-28
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine
    S N H HN N O N H O HO O CH 3
    JUZ
    Name:1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
    Formula:C26 H32 N4 O4 S
    SMILES:CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc4N[CH]5C[CH](OC[CH]5O)c4c3
    InChi:InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22+,23-/m0/s1
    Definition date:2019-04-02
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
    O S O N H N H HN HO O N CH 3
    JV2
    Name:1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
    Formula:C26 H32 N4 O4 S
    SMILES:CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc4N[CH]5C[CH](OC[CH]5O)c4c3
    InChi:InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1
    Definition date:2019-04-02
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
    O HO O N H O N O HN
    JVH
    Name: 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide
    Formula:C23 H27 N3 O5
    SMILES:O[CH]1CO[CH]2C[CH]1Nc3ccc(CNC(=O)CN4C(=O)[CH]5[CH]6CC[CH](C6)[CH]5C4=O)cc23
    InChi:InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20+,21-/m1/s1
    Definition date:2019-04-02
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-[(1~{R},2~{S},6~{R},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]-~{N}-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]ethanamide
    HO F N H O
    JVN
    Name:(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
    Formula:C11 H12 F N O2
    SMILES:O[CH]1CO[CH]2C[CH]1Nc3ccc(F)cc23
    InChi:InChI=1S/C11H12FNO2/c12-6-1-2-8-7(3-6)11-4-9(13-8)10(14)5-15-11/h1-3,9-11,13-14H,4-5H2/t9-,10-,11-/m1/s1
    Definition date:2019-04-04
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
    O N H O O N H 3 C
    JVQ
    Name:14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one
    Formula:C13 H16 N2 O3
    SMILES:CCN1Cc2cc3OCOc3cc2NCCC1=O
    InChi:InChI=1S/C13H16N2O3/c1-2-15-7-9-5-11-12(18-8-17-11)6-10(9)14-4-3-13(15)16/h5-6,14H,2-4,7-8H2,1H3
    Definition date:2019-04-04
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one
    N N H O N H O
    JW2
    Name:~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide
    Formula:C13 H17 N3 O2
    SMILES:O=C(NCc1ccccn1)C(=O)NC2CCCC2
    InChi:InChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18)
    Definition date:2019-04-05
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide
    O HO N O O
    JWB
    Name:2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
    Formula:C11 H13 N O4
    SMILES:OC(=O)CN1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O
    InChi:InChI=1S/C11H13NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h5-6,8-9H,1-4H2,(H,13,14)/t5-,6+,8-,9+
    Definition date:2019-04-05
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
    O HN F F F CH 3 HN CH 3 H 3 C
    K6M
    Name:N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
    Formula:C15 H21 F3 N2 O
    SMILES:N(CCCNC(C)(C)C)C(c1cc(ccc1)C(F)(F)F)=O
    InChi:InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21)
    Definition date:2018-11-01
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
    O NH I CH 3 H 3 C HN H 3 C
    K6P
    Name:N-[3-(tert-butylamino)propyl]-3-iodobenzamide
    Formula:C14 H21 I N2 O
    SMILES:N(C(c1cc(ccc1)I)=O)CCCNC(C)(C)C
    InChi:InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
    Definition date:2018-11-01
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:N-[3-(tert-butylamino)propyl]-3-iodobenzamide
    O HN H 3 C CH 3 NH CH 3 H 3 C CH 3
    K6S
    Name:N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
    Formula:C17 H28 N2 O
    SMILES:N(CCCNC(C)(C)C)C(c1cc(C(C)C)ccc1)=O
    InChi:InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
    Definition date:2018-11-01
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
    Cl HO HN O O NH O S O N
    KDQ
    Name:(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
    Formula:C22 H26 Cl N3 O5 S
    SMILES:OCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3
    InChi:InChI=1S/C22H26ClN3O5S/c23-19-9-8-17(14-27)18(11-19)12-24-22(29)20-7-4-10-26(20)21(28)13-25-32(30,31)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,20,25,27H,4,7,10,12-15H2,(H,24,29)/t20-/m0/s1
    Definition date:2019-05-14
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
    NH 2 N H
    KDY
    Name:2-(1H-indol-4-yl)ethan-1-amine
    Formula:C10 H12 N2
    SMILES:C(Cc2c1ccnc1ccc2)N
    InChi:InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
    Definition date:2018-11-27
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-(1H-indol-4-yl)ethan-1-amine
    _ N P O O OH OH O O OH H 2 N N N + N N
    KEA
    Name:2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)
    Formula:C9 H13 N6 O7 P
    SMILES:C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-]
    InChi:InChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
    Synonyms:2'-azidocytidine monophosphate
    Definition date:2018-11-28
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)
    OH N N N N N N H 2 N O O O OH HO O HO O O P P O NH 2 O N H O
    KT2
    Name:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
    Formula:C21 H25 N9 O13 P2
    SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6ccc7c(N)ncnc67
    InChi:InChI=1S/C21H25N9O13P2/c22-15-7-1-2-29(16(7)25-5-24-15)19-12(32)13-9(41-19)4-39-45(36,37)43-14-11(31)8(3-38-44(34,35)42-13)40-20(14)30-6-26-10-17(30)27-21(23)28-18(10)33/h1-2,5-6,8-9,11-14,19-20,31-32H,3-4H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,27,28,33)/t8-,9-,11-,12-,13-,14-,19-,20-/m1/s1
    Definition date:2019-06-20
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
    O F N N N N N NH 2 NH 2 O OH O OH HO O O O O O P P NH N N O
    KT8
    Name:2'3'-cyclic-GMP-2'F-2'dAMP
    Formula:C20 H23 F N10 O12 P2
    SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67
    InChi:InChI=1S/C20H23FN10O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1
    Definition date:2019-06-20
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-2-azanyl-1~{H}-purin-6-one
    O N O S N N HO O Cl H 3 C CH 3 O HN
    KUW
    Name:2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid
    Formula:C24 H27 Cl N4 O5 S
    SMILES:CC(C)N1C(=O)C(=C(c2ccccc2)[S]1(=O)=O)NC3CCN(CC3)c4ncc(CC(O)=O)cc4Cl
    InChi:InChI=1S/C24H27ClN4O5S/c1-15(2)29-24(32)21(22(35(29,33)34)17-6-4-3-5-7-17)27-18-8-10-28(11-9-18)23-19(25)12-16(14-26-23)13-20(30)31/h3-7,12,14-15,18,27H,8-11,13H2,1-2H3,(H,30,31)
    Definition date:2019-06-28
    Last modified:2019-11-22
    Release date:2019-11-27
    Identifier:2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid