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    HN H 2 N N N H N N H CH 3
    K7H
    Name:~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
    Formula:C10 H12 N6
    SMILES:CNc1[nH]c2cc3N=C(N)NCc3cc2n1
    InChi:InChI=1S/C10H12N6/c1-12-10-15-7-2-5-4-13-9(11)14-6(5)3-8(7)16-10/h2-3H,4H2,1H3,(H3,11,13,14)(H2,12,15,16)
    Definition date:2019-05-01
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
    NH N O N N N H 2 N HO OH
    K8H
    Name:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
    Formula:C19 H28 N6 O3
    SMILES:Nc1ncnc2n(ccc12)[CH]3O[CH](CN4CCCC45CCNCC5)[CH](O)[CH]3O
    InChi:InChI=1S/C19H28N6O3/c20-16-12-2-9-25(17(12)23-11-22-16)18-15(27)14(26)13(28-18)10-24-8-1-3-19(24)4-6-21-7-5-19/h2,9,11,13-15,18,21,26-27H,1,3-8,10H2,(H2,20,22,23)/t13-,14-,15-,18-/m1/s1
    Definition date:2019-05-02
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
    F NH 2 O O S F F F F F F F F
    KPQ
    Name:1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
    Formula:C4 H2 F9 N O2 S
    SMILES:N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
    InChi:InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
    Definition date:2019-06-13
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
    CH 3 N N H 3 C N S O N H NH 2 O CH 3 N
    KPW
    Name:4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
    Formula:C25 H26 N6 O2 S
    SMILES:Cc1cccc(n1)c2nn3CC(C)(C)Cc3c2c4ccnc(Nc5ccc(cc5)[S](N)(=O)=O)c4
    InChi:InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)
    Synonyms:I39LT379
    Definition date:2019-06-13
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
    + N CH 3 N O O O O CH 3
    KQT
    Name:Berberine
    Formula:C28 H27 N2 O4
    SMILES:COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC
    InChi:InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1
    Definition date:2019-06-18
    Last modified:2020-05-29
    Release date:2020-06-03
    N OH O O O N O O OH
    LQ8
    Name:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
    Formula:C28 H30 N2 O7
    SMILES:OCCOc1cccc2[CH](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O
    InChi:InChI=1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1
    Definition date:2019-08-30
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
    NH 2 O O N O HO N O O
    LQK
    Name:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
    Formula:C26 H27 N3 O6
    SMILES:NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc3[CH]2CN4C(=O)c5ccccc5C4=O
    InChi:InChI=1S/C26H27N3O6/c27-23(31)17-8-9-20(17)24(32)28-11-10-16-15(6-3-7-22(16)35-13-12-30)21(28)14-29-25(33)18-4-1-2-5-19(18)26(29)34/h1-7,17,20-21,30H,8-14H2,(H2,27,31)/t17-,20+,21+/m0/s1
    Definition date:2019-08-30
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
    NH 2 N NH 2 N N H HO
    N0Z
    Name:2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
    Formula:C10 H9 N5 O
    SMILES:Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1
    InChi:InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15)
    Definition date:2019-11-05
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
    N N N N H O O S CH 3
    N4K
    Name:5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
    Formula:C27 H32 N4 O2 S
    SMILES:Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6
    InChi:InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3
    Definition date:2019-11-11
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
    CH 3 NH 2 O N CH 3 HO
    N65
    Name:(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal
    Formula:C11 H22 N2 O2
    SMILES:CCCC(C)=NCCCC[CH](N)C(O)=O
    InChi:InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1
    Definition date:2019-11-13
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid
    S O N N N HN N
    O3H
    Name:2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one
    Formula:C19 H21 N5 O S
    SMILES:O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4
    InChi:InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)
    Definition date:2020-01-22
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one
    O N O N O NH 2 O S
    O42
    Name:4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
    Formula:C18 H19 N3 O4 S
    SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3
    InChi:InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
    Definition date:2020-01-28
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
    O OH O O O NH 2 N HN
    OUB
    Name:(S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
    Formula:C9 H9 N3 O5
    SMILES:N[CH](CN1C(=O)NC(=O)c2cocc12)C(O)=O
    InChi:InChI=1S/C9H9N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h2-3,5H,1,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
    Definition date:2020-04-06
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
    H 2 N NH 2 O O
    P6W
    Name:pentanediamide
    Formula:C5 H10 N2 O2
    SMILES:NC(=O)CCCC(N)=O
    InChi:InChI=1S/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9)
    Synonyms:Glutaramide
    Definition date:2020-04-16
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:pentanediamide
    NH 2 O N H NH N H OH O OH
    POK
    Name:2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
    Formula:C8 H16 N4 O4
    SMILES:N[CH](CCCNC(=N)NCC(O)=O)C(O)=O
    InChi:InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1
    Definition date:2020-04-27
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid
    N N N N H O O OH O
    PQ5
    Name:7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
    Formula:C17 H16 N4 O4
    SMILES:OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3
    InChi:InChI=1S/C17H16N4O4/c22-17(23)12-2-1-11-9-14(12)25-8-7-24-6-4-18-15-3-5-21-16(20-15)13(11)10-19-21/h1-3,5,9-10H,4,6-8H2,(H,18,20)(H,22,23)
    Definition date:2020-04-27
    Last modified:2020-05-29
    Release date:2020-06-03
    O OH O O O NH 2 N HN
    PVK
    Name:(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione
    Formula:C9 H11 N3 O5
    SMILES:N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
    InChi:InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
    Synonyms:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
    Definition date:2020-04-28
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid
    HO O O O H 2 N HN N NH
    PVQ
    Name:(S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione
    Formula:C9 H12 N4 O4
    SMILES:N[CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O
    InChi:InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1
    Synonyms:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
    Definition date:2020-04-28
    Last modified:2020-05-29
    Release date:2020-06-03
    Identifier:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
    CH 3 O O N N NH H 3 C O N N O N H
    Q7H
    Name:11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
    Formula:C25 H30 N6 O4
    SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5
    InChi:InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03
    H 3 C O O N N HN CH 3 O N N O N H
    Q7K
    Name:11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
    Formula:C25 H32 N6 O4
    SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OC5CCOCC5
    InChi:InChI=1S/C25H32N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-5,12-13,16,19H,3,6-11,14-15H2,1-2H3,(H2,26,27,28,29)
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03
    N H N O O CH 3 N O NH H 3 C N H N O
    Q7Q
    Name:6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
    Formula:C22 H28 N6 O4
    SMILES:COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
    InChi:InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03
    N CH 3 O O CH 3 N N H O NH H 3 C N N O
    Q7Z
    Name:6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
    Formula:C23 H30 N6 O4
    SMILES:COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
    InChi:InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03
    O N H N N O H 3 C O N N O N H NH H 3 C
    Q8B
    Name:N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
    Formula:C27 H35 N7 O4
    SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5
    InChi:InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03
    N OH N N H O N N N
    Q8K
    Name:11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
    Formula:C22 H24 N6 O2
    SMILES:OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5
    InChi:InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03
    CH 3 N N H O N H N N N
    Q8Q
    Name:11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
    Formula:C18 H20 N6 O
    SMILES:CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1
    InChi:InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)
    Definition date:2020-05-26
    Last modified:2020-05-29
    Release date:2020-06-03