 | | KUB | | Name: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide | | Formula: | C17 H13 Cl F3 N3 O2 S2 | | SMILES: | C[CH](Nc1cc(F)c(cc1Cl)[S](=O)(=O)Nc2cscn2)c3cc(F)ccc3F | | InChi: | InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1 | | Definition date: | 2019-06-26 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide |
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 | | SRV | | Name: | (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid | | Formula: | C45 H84 O11 | | SMILES: | OC1C(O)C(O)C(OC1C(O)=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C45H84O11/c1-4-6-8-10-12-13-14-15-16-17-18-19-25-29-33-39(47)55-37(35-54-45-42(50)40(48)41(49)43(56-45)44(51)52)34-53-38(46)32-28-24-21-20-23-27-31-36(3)30-26-22-11-9-7-5-2/h36-37,40-43,45,48-50H,4-35H2,1-3H3,(H,51,52)/t36-,37+,40-,41-,42+,43-,45-/m0/s1 | | Definition date: | 2018-10-18 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | (2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid |
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 | | OE7 | | Name: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid | | Formula: | C21 H16 Cl N5 O4 | | SMILES: | N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O | | InChi: | InChI=1S/C21H16ClN5O4/c22-13-5-6-14(20(30)31)15(8-13)25-18(28)11-3-1-10(2-4-11)7-12-9-24-17-16(12)19(29)27-21(23)26-17/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid |
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 | | OEA | | Name: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid | | Formula: | C22 H19 N5 O5 | | SMILES: | c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc(OC)ccc4C(O)=O)=O | | InChi: | InChI=1S/C22H19N5O5/c1-32-14-6-7-15(21(30)31)16(9-14)25-19(28)12-4-2-11(3-5-12)8-13-10-24-18-17(13)20(29)27-22(23)26-18/h2-7,9-10H,8H2,1H3,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid |
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 | | OED | | Name: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid | | Formula: | C23 H21 N5 O5 | | SMILES: | O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC(O)=O)OC)N=C(N4)N | | InChi: | InChI=1S/C23H21N5O5/c1-33-16-7-6-14(9-18(29)30)17(10-16)26-21(31)13-4-2-12(3-5-13)8-15-11-25-20-19(15)22(32)28-23(24)27-20/h2-7,10-11H,8-9H2,1H3,(H,26,31)(H,29,30)(H4,24,25,27,28,32) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid |
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 | | OEJ | | Name: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid | | Formula: | C22 H17 N5 O6 | | SMILES: | C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(=N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O | | InChi: | InChI=1S/C22H17N5O6/c23-22-26-17-16(19(29)27-22)13(9-24-17)7-10-1-3-11(4-2-10)18(28)25-15-8-12(20(30)31)5-6-14(15)21(32)33/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H,32,33)(H4,23,24,26,27,29) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid |
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 | | OEP | | Name: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid | | Formula: | C23 H19 N5 O6 | | SMILES: | c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O)C(=O)NC(=N4)N | | InChi: | InChI=1S/C23H19N5O6/c24-23-27-19-18(21(32)28-23)15(10-25-19)7-11-1-3-12(4-2-11)20(31)26-16-8-14(22(33)34)6-5-13(16)9-17(29)30/h1-6,8,10H,7,9H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid |
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 | | OF4 | | Name: | 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid | | Formula: | C22 H19 N5 O4 | | SMILES: | c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc3)N=C(NC4=O)N | | InChi: | InChI=1S/C22H19N5O4/c23-22-26-18-17(20(29)27-22)15(11-24-18)9-12-5-7-13(8-6-12)19(28)25-10-14-3-1-2-4-16(14)21(30)31/h1-8,11H,9-10H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid |
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 | | OF7 | | Name: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | | Formula: | C22 H19 N5 O4 | | SMILES: | N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4ccccc4CC(=O)O)N | | InChi: | InChI=1S/C22H19N5O4/c23-22-26-19-18(21(31)27-22)15(11-24-19)9-12-5-7-13(8-6-12)20(30)25-16-4-2-1-3-14(16)10-17(28)29/h1-8,11H,9-10H2,(H,25,30)(H,28,29)(H4,23,24,26,27,31) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid |
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 | | OFD | | Name: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid | | Formula: | C23 H18 N6 O4 | | SMILES: | O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4cc(ccc4CC(=O)O)C#N | | InChi: | InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid |
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 | | OFJ | | Name: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid | | Formula: | C22 H18 N6 O5 | | SMILES: | c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O)C(NC(=N4)N)=O | | InChi: | InChI=1S/C22H18N6O5/c23-17(29)12-5-6-14(21(32)33)15(8-12)26-19(30)11-3-1-10(2-4-11)7-13-9-25-18-16(13)20(31)28-22(24)27-18/h1-6,8-9H,7H2,(H2,23,29)(H,26,30)(H,32,33)(H4,24,25,27,28,31) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid |
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 | | OG1 | | Name: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid | | Formula: | C22 H16 N6 O4 | | SMILES: | c14c(c(cn1)Cc2ccc(cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N4)N | | InChi: | InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid |
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 | | OG4 | | Name: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid | | Formula: | C23 H21 N5 O4 | | SMILES: | c14c(C(=O)NC(=N1)N)c(Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4 | | InChi: | InChI=1S/C23H21N5O4/c24-23-27-20-19(22(32)28-23)16(12-25-20)11-13-5-7-15(8-6-13)21(31)26-17-4-2-1-3-14(17)9-10-18(29)30/h1-8,12H,9-11H2,(H,26,31)(H,29,30)(H4,24,25,27,28,32) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid |
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 | | OG7 | | Name: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid | | Formula: | C21 H17 N5 O4 | | SMILES: | c1cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=NC3=O)N)nc4 | | InChi: | InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28) | | Definition date: | 2019-06-24 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid |
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 | | LO5 | | Name: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine | | Formula: | C13 H17 N O3 | | SMILES: | C1CO[CH](C1)CNCc2ccc3OCOc3c2 | | InChi: | InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1 | | Definition date: | 2019-08-28 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
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 | | LOE | | Name: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine | | Formula: | C14 H25 N O2 | | SMILES: | C1CCN(CC1)C[CH]2COC3(CCCCC3)O2 | | InChi: | InChI=1S/C14H25NO2/c1-3-7-14(8-4-1)16-12-13(17-14)11-15-9-5-2-6-10-15/h13H,1-12H2/t13-/m0/s1 | | Definition date: | 2019-08-29 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine |
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 | | LOK | | Name: | methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate | | Formula: | C10 H12 N2 O4 | | SMILES: | COC(=O)Nc1cccc(NC(=O)OC)c1 | | InChi: | InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14) | | Definition date: | 2019-08-29 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate |
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 | | LOQ | | Name: | 1-(4-methylphenyl)pyrrolidine-2,5-dione | | Formula: | C11 H11 N O2 | | SMILES: | Cc1ccc(cc1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3 | | Definition date: | 2019-08-30 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 1-(4-methylphenyl)pyrrolidine-2,5-dione |
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 | | LOT | | Name: | 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide | | Formula: | C9 H9 N3 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16) | | Definition date: | 2019-08-30 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide |
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 | | LOW | | Name: | (5~{S},7~{R})-3-azanyladamantan-1-ol | | Formula: | C10 H17 N O | | SMILES: | NC12C[CH]3C[CH](C1)CC(O)(C3)C2 | | InChi: | InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10- | | Definition date: | 2019-08-30 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | (5~{S},7~{R})-3-azanyladamantan-1-ol |
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 | | LPZ | | Name: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone | | Formula: | C14 H21 N2 O2 | | SMILES: | C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2 | | InChi: | InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1 | | Definition date: | 2019-08-30 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone |
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 | | A6O | | Name: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one | | Formula: | C20 H26 O3 | | SMILES: | CC[C]1(CC=C2CCCc3cc(OC)ccc23)[CH](O)CCC1=O | | InChi: | InChI=1S/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3/b14-11+/t18-,20+/m0/s1 | | Definition date: | 2018-10-10 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | (2~{R},3~{S})-2-ethyl-2-[(2~{E})-2-(6-methoxy-3,4-dihydro-2~{H}-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one |
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 | | C8O | | Name: | 2-(2-azanylethylamino)-5-nitro-benzoic acid | | Formula: | C9 H11 N3 O4 | | SMILES: | NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O | | InChi: | InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14) | | Definition date: | 2019-04-15 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 2-(2-azanylethylamino)-5-nitro-benzoic acid |
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 | | FCZ | | Name: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | | Formula: | C16 H17 N7 O | | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14 | | InChi: | InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21) | | Definition date: | 2018-06-21 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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 | | FDH | | Name: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | | Formula: | C15 H14 Cl N7 O | | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(Cl)nc(N)nc14 | | InChi: | InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21) | | Definition date: | 2018-06-21 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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