Chemie search results(化合物の検索結果)

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    化合物検索へ
    CH 3 O O S _ O O + N HO O O
    92L
    表記:2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione
    組成式:C14 H13 N O7 S
    SMILES:C[S](=O)(=O)c1ccc([C](O)=[C]2C(=O)C[CH2]CC2=O)c(c1)[N+]([O-])=O
    InChi:InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,18H,2-4H2,1H3
    別名:Mesotrione
    定義日:2017-12-07
    最終更新日:2019-01-11
    識別子(ID):2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione
    S O O H 3 C HO N N O N N CH 3 H 3 C
    92U
    表記:[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
    組成式:C15 H18 N4 O4 S
    SMILES:CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O
    InChi:InChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3
    定義日:2017-12-07
    最終更新日:2019-01-11
    識別子(ID):[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
    CH 3 CH 3 N O O N O O OH CH 3
    92X
    表記:1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    組成式:C24 H22 N2 O5
    SMILES:CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C
    InChi:InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3
    定義日:2017-12-07
    最終更新日:2019-01-11
    識別子(ID):1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    HO CH 3 CH 3 H 3 C N O O N O O
    94L
    表記:3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    組成式:C24 H22 N2 O5
    SMILES:CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
    InChi:InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
    定義日:2017-12-14
    最終更新日:2019-01-11
    識別子(ID):3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    Br S S O O O O O NH N NH 2 NH CH 3 N
    95D
    表記:2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide
    組成式:C15 H14 Br N5 O5 S2
    SMILES:c2c(c1cccc(OCC(N)=O)c1n2C)S(NC(=O)Nc3sc(Br)cn3)(=O)=O
    InChi:InChI=1S/C15H14BrN5O5S2/c1-21-6-10(8-3-2-4-9(13(8)21)26-7-12(17)22)28(24,25)20-14(23)19-15-18-5-11(16)27-15/h2-6H,7H2,1H3,(H2,17,22)(H2,18,19,20,23)
    定義日:2017-04-03
    最終更新日:2019-01-11
    識別子(ID):2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide
    H 2 N O HO
    96Z
    表記:(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
    組成式:C13 H15 N O2
    SMILES:N[CH](CC1=C2C=CCC=CC2=CC1)C(O)=O
    InChi:InChI=1S/C13H15NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h2-6,12H,1,7-8,14H2,(H,15,16)/t12-/m0/s1
    定義日:2017-04-26
    最終更新日:2019-01-11
    識別子(ID):(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
    CH 3 O N N H H 3 C O H 3 C O H 3 C O
    97O
    表記:6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole
    組成式:C21 H22 N2 O4
    SMILES:COc1ccc(cc1)c2[nH]nc3CCc4c(OC)c(OC)c(OC)cc4c23
    InChi:InChI=1S/C21H22N2O4/c1-24-13-7-5-12(6-8-13)19-18-15-11-17(25-2)21(27-4)20(26-3)14(15)9-10-16(18)22-23-19/h5-8,11H,9-10H2,1-4H3,(H,22,23)
    定義日:2018-01-26
    最終更新日:2019-01-11
    識別子(ID):6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole
    S O O N N CH 3 CH 3 CH 3
    9C0
    表記:9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
    組成式:C17 H20 N2 O2 S
    SMILES:CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
    InChi:InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3
    定義日:2018-03-09
    最終更新日:2019-01-11
    識別子(ID):9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
    S O O O N N CH 3 H 3 C
    9C3
    表記:9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
    組成式:C16 H18 N2 O3 S
    SMILES:c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C
    InChi:InChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3
    定義日:2018-03-09
    最終更新日:2019-01-11
    識別子(ID):9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
    O O N N S O
    9C6
    表記:9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
    組成式:C19 H16 N2 O3 S
    SMILES:N41CCS(=O)(=O)N=C1C(c2ccc(cc2)Oc3ccccc3)=CC=C4
    InChi:InChI=1S/C19H16N2O3S/c22-25(23)14-13-21-12-4-7-18(19(21)20-25)15-8-10-17(11-9-15)24-16-5-2-1-3-6-16/h1-12H,13-14H2
    定義日:2018-03-09
    最終更新日:2019-01-11
    識別子(ID):9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
    CH 3 CH 3 N N OH
    A1U
    表記:3,5-dimethylpyrazin-2-ol
    組成式:C6 H8 N2 O
    SMILES:c1c(C)nc(c(n1)O)C
    InChi:InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
    定義日:2018-09-13
    最終更新日:2019-01-11
    識別子(ID):3,5-dimethylpyrazin-2-ol
    N O N NH 2 N H P P OH O O O OH OH O OH O O P O OH O P O HO OH N
    BKP
    表記:5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
    組成式:C10 H17 N5 O17 P4
    SMILES:P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C(C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O
    InChi:InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
    定義日:2017-08-14
    最終更新日:2019-01-11
    識別子(ID):5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
    CH 3 HO HO OH O P
    BOY
    表記:[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
    組成式:C8 H11 O4 P
    SMILES:Cc1ccc(cc1)C(P(O)(O)=O)O
    InChi:InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)/t8-/m1/s1
    定義日:2017-08-21
    最終更新日:2019-01-11
    識別子(ID):[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
    HO HO O P Cl Cl N H O OH P OH
    BWJ
    表記:{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
    組成式:C7 H9 Cl2 N O6 P2
    SMILES:c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1Cl
    InChi:InChI=1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
    定義日:2017-08-30
    最終更新日:2019-01-11
    識別子(ID):{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
    OH HO O P N H HO O P OH
    C8A
    表記:{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
    組成式:C14 H17 N O6 P2
    SMILES:c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2
    InChi:InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
    定義日:2017-09-18
    最終更新日:2019-01-11
    識別子(ID):{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
    O O O O O CH 3 CH 3 H 3 C H 3 C
    D8Z
    表記:Artemether
    組成式:C16 H26 O5
    SMILES:CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3
    InChi:InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
    定義日:2018-01-10
    最終更新日:2019-01-11
    H 3 C OH O O O O O O O CH 3 H 3 C
    D95
    表記:Artesunate
    組成式:C19 H28 O8
    SMILES:C[CH]1CC[CH]2[CH](C)[CH](O[CH]3O[C]4(C)CC[CH]1[C]23OO4)OC(=O)CCC(O)=O
    InChi:InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
    定義日:2018-01-10
    最終更新日:2019-01-11
    N H N H N H N N N O S O CH 3 N
    EGP
    表記:N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
    組成式:C31 H39 N7 O2 S
    SMILES:n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6
    InChi:InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
    定義日:2018-01-10
    最終更新日:2019-01-11
    識別子(ID):N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
    O OH
    EH1
    表記:4-cyclohexylbenzoic acid
    組成式:C13 H16 O2
    SMILES:C1(CCCCC1)c2ccc(C(=O)O)cc2
    InChi:InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
    定義日:2018-01-10
    最終更新日:2019-01-11
    識別子(ID):4-cyclohexylbenzoic acid
    S N H HN N
    EHY
    表記:N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
    組成式:C14 H15 N3 S
    SMILES:c1ccc(cc1)CCNC(Nc2cccnc2)=S
    InChi:InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)
    定義日:2018-01-11
    最終更新日:2019-01-11
    識別子(ID):N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
    O OH S
    EJD
    表記:4-(thiophen-3-yl)benzoic acid
    組成式:C11 H8 O2 S
    SMILES:c1(ccsc1)c2ccc(C(O)=O)cc2
    InChi:InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)
    定義日:2018-01-13
    最終更新日:2019-01-11
    識別子(ID):4-(thiophen-3-yl)benzoic acid
    H 3 C OH O
    EJV
    表記:4-heptylbenzoic acid
    組成式:C14 H20 O2
    SMILES:c1cc(ccc1C(O)=O)CCCCCCC
    InChi:InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
    定義日:2018-01-15
    最終更新日:2019-01-11
    識別子(ID):4-heptylbenzoic acid
    N O HO O OH
    EKA
    表記:[cyclohexyl(hydroxy)amino](oxo)acetic acid
    組成式:C8 H13 N O4
    SMILES:C(C(N(C1CCCCC1)O)=O)(O)=O
    InChi:InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12)
    定義日:2018-01-16
    最終更新日:2019-01-11
    識別子(ID):[cyclohexyl(hydroxy)amino](oxo)acetic acid
    HN O O OH
    EKD
    表記:(cyclohexylamino)(oxo)acetic acid
    組成式:C8 H13 N O3
    SMILES:C(C(NC1CCCCC1)=O)(O)=O
    InChi:InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
    定義日:2018-01-16
    最終更新日:2019-01-11
    識別子(ID):(cyclohexylamino)(oxo)acetic acid
    CH 3 CH 3 CH 3 Si O O CH 3 CH 3 N CH 3 H 3 C
    EKV
    表記:N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
    組成式:C28 H37 N O2 Si
    SMILES:CC(C#CC#CCN(Cc1cc(ccc1)OC[Si](c2ccccc2C)(C)C)CC)(OC)C
    InChi:InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
    定義日:2018-01-19
    最終更新日:2019-01-11
    識別子(ID):N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
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