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    CH 3 H 2 N N H CH 3 N
    WUG
    Name:1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine
    Formula:C6 H11 N3
    SMILES:Cc1c(CN)nc(n1)C
    InChi:InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)
    Definition date:2020-11-17
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine
    NH 2 NH O O
    WUJ
    Name:N-[(furan-2-yl)methyl]urea
    Formula:C6 H8 N2 O2
    SMILES:NC(NCc1ccco1)=O
    InChi:InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
    Definition date:2020-11-17
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:N-[(furan-2-yl)methyl]urea
    CH 3 N CH 3 S H 2 N N
    WUM
    Name:4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
    Formula:C6 H11 N3 S
    SMILES:CN(C)Cc1nc(sc1)N
    InChi:InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)
    Definition date:2020-11-17
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
    CH 3 N H H 2 N N
    WUS
    Name:(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine
    Formula:C8 H13 N3
    SMILES:c12CC(CCc1nc(C)n2)N
    InChi:InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
    Definition date:2020-11-17
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine
    O N H O O HS HO N CH 3
    WUV
    Name:5'-thiothymidine
    Formula:C10 H14 N2 O4 S
    SMILES:C(S)C2C(CC(N1C(NC(C(C)=C1)=O)=O)O2)O
    InChi:InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1
    Definition date:2020-11-17
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:5'-thiothymidine
    NH 2 NH NH O
    WUY
    Name:N-(2-aminoethyl)-N'-phenylurea
    Formula:C9 H13 N3 O
    SMILES:c1ccc(NC(NCCN)=O)cc1
    InChi:InChI=1S/C9H13N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
    Definition date:2020-11-17
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:N-(2-aminoethyl)-N'-phenylurea
    CH 3 N H O O CH 3 NH H 2 C HN
    Y94
    Name:2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
    Formula:C24 H25 N3 O2
    SMILES:O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NC\C=C
    InChi:InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1
    Definition date:2020-11-10
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
    HN CH 3 O OH N CH 3
    Y96
    Name:5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
    Formula:C21 H20 N2 O2
    SMILES:O=C(c1c(ccc(\C=N\O)c1)C)NC(C)c2cccc3c2cccc3
    InChi:InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1
    Definition date:2020-11-10
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
    N N N H H 3 C HO N N NH
    S1Z
    Name:(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
    Formula:C17 H18 N6 O
    SMILES:CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3
    InChi:InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1
    Definition date:2020-11-06
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
    CH 3 O O
    S1N
    Name:(~{E})-4-methylnon-4-enedial
    Formula:C10 H16 O2
    SMILES:CC(CCC=O)=CCCCC=O
    InChi:InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
    Definition date:2020-11-05
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(~{E})-4-methylnon-4-enedial
    OH O O O O OH OH O O OH O O O O OH HO P P N H N N H
    WQD
    Name:UDP-4-deoxy-4-formamido-beta-L-arabinopyranose
    Formula:C15 H23 N3 O16 P2
    SMILES:C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O
    InChi:InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1
    Synonyms:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
    Definition date:2020-11-04
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
    O O O O O HO O O P H 3 C CH 3 + N H 3 C H 3 C CH 3
    WSS
    Name:tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
    Formula:C44 H85 N O8 P
    SMILES:C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O
    InChi:InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1
    Definition date:2020-11-04
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:(4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium
    N H N H O CH 3 O NH 2 S HO O S O OH O O S OH O O
    H3U
    Name:8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
    Formula:C25 H21 N3 O11 S3
    SMILES:Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
    InChi:InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
    Definition date:2020-11-02
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid
    NH N H
    WP4
    Name:(3R)-N-benzylpyrrolidin-3-amine
    Formula:C11 H16 N2
    SMILES:c1cc(ccc1)CNC2CCNC2
    InChi:InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1
    Definition date:2020-11-02
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:(3R)-N-benzylpyrrolidin-3-amine
    F F N H O O S Cl O N N H
    RXQ
    Name:N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
    Formula:C26 H16 Cl F2 N3 O3 S
    SMILES:Fc1ccc(N[S](=O)(=O)c2ccccc2)c(F)c1C(=O)c3c[nH]c4ncc(cc34)c5ccc(Cl)cc5
    InChi:InChI=1S/C26H16ClF2N3O3S/c27-17-8-6-15(7-9-17)16-12-19-20(14-31-26(19)30-13-16)25(33)23-21(28)10-11-22(24(23)29)32-36(34,35)18-4-2-1-3-5-18/h1-14,32H,(H,30,31)
    Synonyms:N-[3-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide
    Definition date:2020-10-31
    Last modified:2020-11-20
    Release date:2020-11-25
    Identifier:~{N}-[3-[[5-(4-chlorophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide
    N N CH 3 OH CH 3 F
    WGM
    Name:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
    Formula:C11 H15 F N2 O
    SMILES:n1cccc(c1N2CC(O)C(C)(C2)C)F
    InChi:InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
    HN N H 3 C O CH 3
    WGP
    Name:N,N-dimethyl-N~2~-phenylglycinamide
    Formula:C10 H14 N2 O
    SMILES:N(CC(N(C)C)=O)c1ccccc1
    InChi:InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:N,N-dimethyl-N~2~-phenylglycinamide
    N H N O F
    WGS
    Name:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
    Formula:C11 H15 F N2 O
    SMILES:N(c1c(F)cccn1)CC2CCOCC2
    InChi:InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
    N
    WGV
    Name:1-(3-phenylprop-2-yn-1-yl)piperidine
    Formula:C14 H17 N
    SMILES:c1ccccc1C#CCN2CCCCC2
    InChi:InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:1-(3-phenylprop-2-yn-1-yl)piperidine
    NH 2 N H CH 3 O O O S
    WGY
    Name:N-(4-sulfamoylphenyl)propanamide
    Formula:C9 H12 N2 O3 S
    SMILES:NS(c1ccc(cc1)NC(=O)CC)(=O)=O
    InChi:InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:N-(4-sulfamoylphenyl)propanamide
    CH 3 O N N
    WH1
    Name:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
    Formula:C15 H16 N2 O
    SMILES:n1c(cccc1)CCN(C(=O)c2ccccc2)C
    InChi:InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
    N N H CH 3 CH 3
    WH4
    Name:N-(propan-2-yl)pyridin-3-amine
    Formula:C8 H12 N2
    SMILES:n1cc(ccc1)NC(C)C
    InChi:InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:N-(propan-2-yl)pyridin-3-amine
    HN CH 3 OH Cl Cl
    WH7
    Name:(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
    Formula:C10 H13 Cl2 N O
    SMILES:c1(c(cccc1Cl)Cl)CNCC(C)O
    InChi:InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
    F N NH
    WHD
    Name:4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
    Formula:C15 H13 F N2
    SMILES:N#Cc2ccc(CNCc1ccc(cc1)F)cc2
    InChi:InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
    NH N O N
    WHG
    Name:1-[(1,2-oxazol-3-yl)methyl]piperazine
    Formula:C8 H13 N3 O
    SMILES:N2CCN(Cc1ccon1)CC2
    InChi:InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
    Definition date:2020-10-30
    Last modified:2020-11-06
    Release date:2020-11-11
    Identifier:1-[(1,2-oxazol-3-yl)methyl]piperazine
    171588
    PDB entries from 2020-11-25