 | | VY1 | | Name: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide | | Formula: | C19 H27 N9 O3 S | | SMILES: | c1c(cnc(n1)N)c5c2c(N(CC2)C3CCN(C3)S(NC)(=O)=O)nc(N4CCOCC4)n5 | | InChi: | InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1 | | Definition date: | 2020-09-21 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide |
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 | | VY4 | | Name: | tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | Formula: | C24 H34 N8 O3 | | SMILES: | c1c(cnc(n1)N)c5c2c(N(CC2)C3(CCN(C(OC(C)(C)C)=O)C3)C)nc(N4CCOCC4)n5 | | InChi: | InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | | Definition date: | 2020-09-21 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate |
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 | | VYP | | Name: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine | | Formula: | C12 H14 N6 O | | SMILES: | c2cnc(N1CCOCC1)nc2c3cnc(nc3)N | | InChi: | InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16) | | Definition date: | 2020-09-22 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine |
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 | | IF1 | | Name: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid | | Formula: | C17 H18 F5 N2 O7 P | | SMILES: | C(C2CC(N=[C@H]c1c(c(ncc1COP(=O)(O)O)C)O)C(C2)C(/C(F)(F)F)=C(/F)F)(O)=O | | InChi: | InChI=1S/C17H18F5N2O7P/c1-7-14(25)11(9(4-23-7)6-31-32(28,29)30)5-24-12-3-8(16(26)27)2-10(12)13(15(18)19)17(20,21)22/h4-5,8,10,12,25H,2-3,6H2,1H3,(H,26,27)(H2,28,29,30)/b24-5+/t8-,10+,12-/m0/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid |
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 | | WZ6 | | Name: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid | | Formula: | C27 H31 F3 N2 O4 | | SMILES: | CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(O)=O)C(C)(C)CCC2(C)C | | InChi: | InChI=1S/C27H31F3N2O4/c1-6-35-11-12-36-22-15-18-17(25(2,3)9-10-26(18,4)5)14-21(22)32-20-8-7-16(23(33)34)13-19(20)31-24(32)27(28,29)30/h7-8,13-15H,6,9-12H2,1-5H3,(H,33,34) | | Definition date: | 2020-06-30 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid |
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 | | EKL | | Name: | 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide | | Formula: | C28 H30 N2 O4 S | | SMILES: | CCn1c2ccc(OC3CCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC | | InChi: | InChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31) | | Definition date: | 2020-01-08 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide |
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 | | ENR | | Name: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide | | Formula: | C27 H30 N2 O4 S | | SMILES: | CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC | | InChi: | InChI=1S/C27H30N2O4S/c1-5-29-25-13-9-20(15-23(25)24-16-21(33-18(3)4)10-14-26(24)29)27(30)28-17-19-7-11-22(12-8-19)34(31,32)6-2/h7-16,18H,5-6,17H2,1-4H3,(H,28,30) | | Definition date: | 2020-01-17 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide |
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 | | ENU | | Name: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide | | Formula: | C30 H34 N2 O4 S | | SMILES: | CCn1c2ccc(OC3CCCCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC | | InChi: | InChI=1S/C30H34N2O4S/c1-3-32-28-16-12-22(30(33)31-20-21-10-14-25(15-11-21)37(34,35)4-2)18-26(28)27-19-24(13-17-29(27)32)36-23-8-6-5-7-9-23/h10-19,23H,3-9,20H2,1-2H3,(H,31,33) | | Definition date: | 2020-01-17 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide |
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 | | EO0 | | Name: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide | | Formula: | C24 H24 N2 O3 S | | SMILES: | CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC | | InChi: | InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27) | | Definition date: | 2020-01-17 | | Last modified: | 2021-01-01 | | Release date: | 2021-01-06 | | Identifier: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide |
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 | | NWK | | Name: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid | | Formula: | C20 H20 Cl2 N4 O5 S | | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl | | InChi: | InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27) | | Definition date: | 2020-01-02 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid |
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 | | FWO | | Name: | (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O | | InChi: | InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1 | | Definition date: | 2020-06-25 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid |
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 | | PW5 | | Name: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid | | Formula: | C11 H13 Br N2 O3 | | SMILES: | Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br | | InChi: | InChI=1S/C11H13BrN2O3/c1-6-5-8(13-7(2)11(6)12)14-9(15)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15) | | Definition date: | 2020-04-29 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid |
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 | | PW8 | | Name: | 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid | | Formula: | C13 H11 Br N2 O3 | | SMILES: | OC(=O)CCC(=O)Nc1cc2c(Br)cccc2cn1 | | InChi: | InChI=1S/C13H11BrN2O3/c14-10-3-1-2-8-7-15-11(6-9(8)10)16-12(17)4-5-13(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,15,16,17) | | Definition date: | 2020-04-29 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid |
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 | | R4Q | | Name: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid | | Formula: | C24 H21 Cl F N O6 | | SMILES: | C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O | | InChi: | InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1 | | Definition date: | 2020-09-01 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid |
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 | | QLH | | Name: | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile | | Formula: | C16 H15 F3 N4 | | SMILES: | N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F | | InChi: | InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1 | | Definition date: | 2020-06-29 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile |
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 | | RYD | | Name: | (1-methylbenzotriazol-5-yl)methanol | | Formula: | C8 H9 N3 O | | SMILES: | Cn1nnc2cc(CO)ccc12 | | InChi: | InChI=1S/C8H9N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-4,12H,5H2,1H3 | | Definition date: | 2020-03-02 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (1-methylbenzotriazol-5-yl)methanol |
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 | | QAH | | Name: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate | | Formula: | C11 H19 N O10 S | | SMILES: | OC[CH]1O[CH](OCC(=N)[CH](O)C=C)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O | | InChi: | InChI=1S/C11H19NO10S/c1-2-6(14)5(12)4-20-11-9(16)10(22-23(17,18)19)8(15)7(3-13)21-11/h2,6-16H,1,3-4H2,(H,17,18,19)/b12-5+/t6-,7+,8-,9+,10-,11+/m0/s1 | | Definition date: | 2020-05-30 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate |
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 | | UZG | | Name: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide | | Formula: | C22 H20 N4 O3 | | SMILES: | COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N | | InChi: | InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26) | | Definition date: | 2020-06-08 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide |
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 | | V8G | | Name: | trans-4-butylcyclohexane-1-carboxylic acid | | Formula: | C11 H20 O2 | | SMILES: | C1C(C(=O)O)CCC(C1)CCCC | | InChi: | InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10- | | Definition date: | 2020-07-16 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | trans-4-butylcyclohexane-1-carboxylic acid |
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 | | VBS | | Name: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one | | Formula: | C28 H25 N7 O | | SMILES: | c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O | | InChi: | InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one |
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 | | VLY | | Name: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C20 H18 N4 O S | | SMILES: | C2(=O)N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4ccccc4 | | InChi: | InChI=1S/C20H18N4OS/c1-14(15-9-5-3-6-10-15)26-20-22-18-17(13-21-23(18)2)19(25)24(20)16-11-7-4-8-12-16/h3-14H,1-2H3/t14-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VM4 | | Name: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C20 H18 N4 O2 S | | SMILES: | O=C2N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4cc(ccc4)O | | InChi: | InChI=1S/C20H18N4O2S/c1-13(14-7-6-10-16(25)11-14)27-20-22-18-17(12-21-23(18)2)19(26)24(20)15-8-4-3-5-9-15/h3-13,25H,1-2H3/t13-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VMA | | Name: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C19 H17 N5 O S | | SMILES: | c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4ccccc4 | | InChi: | InChI=1S/C19H17N5OS/c1-13(16-10-6-7-11-20-16)26-19-22-17-15(12-21-23(17)2)18(25)24(19)14-8-4-3-5-9-14/h3-13H,1-2H3/t13-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VMG | | Name: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C22 H22 N4 O2 S | | SMILES: | O=C2c1cnn(c1N=C(N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C | | InChi: | InChI=1S/C22H22N4O2S/c1-15(17-6-4-3-5-7-17)29-22-24-20-19(14-23-25(20)2)21(28)26(22)18-10-8-16(9-11-18)12-13-27/h3-11,14-15,27H,12-13H2,1-2H3/t15-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5-[4-(2-hydroxyethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | VMJ | | Name: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C21 H20 N4 O2 S | | SMILES: | O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(C)c4ccccc4 | | InChi: | InChI=1S/C21H20N4O2S/c1-14(16-6-4-3-5-7-16)28-21-23-19-18(12-22-24(19)2)20(27)25(21)17-10-8-15(13-26)9-11-17/h3-12,14,26H,13H2,1-2H3/t14-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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