 | | 1OA | | Name: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C18 H18 F N5 O2 | | SMILES: | Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)C4CCNCC4 | | InChi: | InChI=1S/C18H18FN5O2/c19-12-1-3-13(4-2-12)22-18(26)14-10-21-24-16(25)9-15(23-17(14)24)11-5-7-20-8-6-11/h1-4,9-11,20,25H,5-8H2,(H,22,26) | | Definition date: | 2013-04-09 | | Last modified: | 2013-05-10 | | Release date: | 2013-05-15 | | Identifier: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | 1OB | | Name: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C21 H14 F N5 O2 | | SMILES: | Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)Cc4ccc(C#N)cc4 | | InChi: | InChI=1S/C21H14FN5O2/c22-15-5-7-16(8-6-15)26-21(29)18-12-24-27-19(28)10-17(25-20(18)27)9-13-1-3-14(11-23)4-2-13/h1-8,10,12,28H,9H2,(H,26,29) | | Definition date: | 2013-04-09 | | Last modified: | 2013-05-10 | | Release date: | 2013-05-15 | | Identifier: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | 1OC | | Name: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C26 H24 F2 N8 O | | SMILES: | Fc1ccccc1c2cc3c(nc2)ncc3NC(=O)c4c5nc(ccn5nc4)NCC6CCNCC6F | | InChi: | InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1 | | Definition date: | 2013-04-09 | | Last modified: | 2013-05-10 | | Release date: | 2013-05-15 | | Identifier: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | L39 | | Name: | (3beta,9beta,25R)-3-hydroxy-26-iodocholest-5-ene-16,22-dione | | Formula: | C27 H41 I O3 | | SMILES: | ICC(C)CCC(=O)C(C1C(=O)CC2C1(C)CCC3C2CC=C4C3(CCC(O)C4)C)C | | InChi: | InChI=1S/C27H41IO3/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,29H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,25+,26+,27+/m1/s1 | | Definition date: | 2012-05-22 | | Last modified: | 2013-05-10 | | Release date: | 2013-05-15 | | Identifier: | (3beta,9beta,25R)-3-hydroxy-26-iodocholest-5-ene-16,22-dione |
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 | | GUD | | Name: | GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE | | Formula: | C15 H24 N2 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O | | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2013-05-07 | | 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,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | 1QS | | Name: | N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide | | Formula: | C21 H15 F2 N3 O3 S | | SMILES: | Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccc4nccn4c3 | | InChi: | InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27) | | Definition date: | 2013-04-29 | | Last modified: | 2013-05-03 | | Release date: | 2013-05-08 | | Identifier: | N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide |
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 | | 1LX | | Name: | imidazo[1,2-a]pyridin-5-amine | | Formula: | C7 H7 N3 | | SMILES: | n1ccn2c(cccc12)N | | InChi: | InChI=1S/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,8H2 | | Definition date: | 2013-03-24 | | Last modified: | 2013-04-26 | | Release date: | 2013-05-01 | | Identifier: | imidazo[1,2-a]pyridin-5-amine |
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 | | 1LY | | Name: | imidazo[1,2-a]pyridin-6-amine | | Formula: | C7 H7 N3 | | SMILES: | n1ccn2cc(ccc12)N | | InChi: | InChI=1S/C7H7N3/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H,8H2 | | Definition date: | 2013-03-25 | | Last modified: | 2013-04-26 | | Release date: | 2013-05-01 | | Identifier: | imidazo[1,2-a]pyridin-6-amine |
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 | | RKP | | Name: | Lambda-Ru(phen)2(dppz) complex | | Formula: | C42 H26 N8 Ru | | SMILES: | n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru]%10%14(n5ccc6)(n8c7c9c(ccc7ccc8)cccn9%10)n%12cccc%11ccc%13c(c%11%12)n%14ccc%13 | | InChi: | InChI=1S/C18H10N4.2C12H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | | Definition date: | 2011-10-18 | | Last modified: | 2013-04-17 | | Identifier: | (dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]ruthenium |
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 | | 574 | | Name: | [(3aS,4R,6R,6aR)-2-{2-[(1S)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite | | Formula: | C18 H22 B N6 O8 P | | SMILES: | O1B(OC4C1C(OC4n2c3ncnc(N)c3nc2)COP(O)O)c5ccccc5C(O)CN | | InChi: | InChI=1S/C18H22BN6O7P/c20-5-11(26)9-3-1-2-4-10(9)19-31-14-12(6-29-33(27)28)30-18(15(14)32-19)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H2,21,22,23)/t11-,12-,14-,15-,18-/m1/s1 | | Definition date: | 2013-01-21 | | Last modified: | 2013-04-12 | | Release date: | 2013-04-17 | | Identifier: | [(3aS,4R,6R,6aR)-2-{2-[(1S)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite |
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 | | DJF | | Name: | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | | Formula: | C20 H24 B N5 O10 P | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6cccc(OCCCO)c56)O[CH]34 | | InChi: | InChI=1S/C20H22BN5O9P/c22-18-15-19(24-9-23-18)26(10-25-15)20-17-16(13(33-20)8-32-36(28)29)34-21(35-17)14-11(7-31-21)3-1-4-12(14)30-6-2-5-27/h1,3-4,9-10,13,16-17,20,27H,2,5-8H2,(H2,22,23,24)/q-1/t13-,16-,17-,20-,21+/m1/s1 | | Definition date: | 2013-01-21 | | Last modified: | 2013-04-12 | | Release date: | 2013-04-17 | | Identifier: | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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 | | UPV | | Name: | 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) | | Formula: | C15 H23 N2 O11 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCOC(=O)C(C)(C)C)C2O | | InChi: | InChI=1S/C15H23N2O11P/c1-15(2,3)13(20)26-7-25-11-10(19)8(6-27-29(22,23)24)28-12(11)17-5-4-9(18)16-14(17)21/h4-5,8,10-12,19H,6-7H2,1-3H3,(H,16,18,21)(H2,22,23,24)/t8-,10-,11-,12-/m1/s1 | | Definition date: | 2012-07-30 | | Last modified: | 2013-04-05 | | Release date: | 2013-04-10 | | Identifier: | 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) |
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 | | 0UL | | Name: | 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine | | Formula: | C11 H9 N5 | | SMILES: | n1c(cn2nc(nc2c1)N)c3ccccc3 | | InChi: | InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15) | | Definition date: | 2012-06-19 | | Last modified: | 2013-04-05 | | Release date: | 2013-04-10 | | Identifier: | 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine |
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 | | 1A6 | | Name: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine | | Formula: | C11 H10 N4 O S | | SMILES: | S(c1nnc2ccccn12)Cc3onc(c3)C | | InChi: | InChI=1S/C11H10N4OS/c1-8-6-9(16-14-8)7-17-11-13-12-10-4-2-3-5-15(10)11/h2-6H,7H2,1H3 | | Definition date: | 2012-11-15 | | Last modified: | 2013-03-29 | | Release date: | 2013-04-03 | | Identifier: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine |
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 | | 0TN | | Name: | Delta-Ru(phen)2(dppz) complex | | Formula: | C42 H26 N8 Ru | | SMILES: | n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru]%10%14(n5ccc6)(n8c7c9c(ccc7ccc8)cccn9%10)n%12cccc%11ccc%13c(c%11%12)n%14ccc%13 | | InChi: | InChI=1S/C18H10N4.2C12H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | | Definition date: | 2012-06-07 | | Last modified: | 2013-03-15 | | Release date: | 2013-03-20 | | Identifier: | (dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]ruthenium |
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 | | PHO | | Name: | PHEOPHYTIN A | | Formula: | C55 H74 N4 O5 | | SMILES: | O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(=C5C)CC)C)C6C | | InChi: | InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2013-03-11 | | Identifier: | methyl (3S,4S,21R)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylate |
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 | | BPH | | Name: | BACTERIOPHEOPHYTIN A | | Formula: | C55 H76 N4 O6 | | SMILES: | O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C | | InChi: | InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1 | | Definition date: | 2004-12-07 | | Last modified: | 2013-03-11 | | Identifier: | methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate |
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 | | 1GG | | Name: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide | | Formula: | C24 H31 Cl N6 O2 | | SMILES: | O=C1C(=NC(Cl)=C3N1C(C(=O)NCc2ccc(C(=[N@H])N)cc2)CC3(CC)CC)NC4CCC4 | | InChi: | InChI=1S/C24H31ClN6O2/c1-3-24(4-2)12-17(22(32)28-13-14-8-10-15(11-9-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-6-5-7-16/h8-11,16-17H,3-7,12-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1 | | Definition date: | 2013-01-25 | | Last modified: | 2013-02-22 | | Release date: | 2013-02-22 | | Identifier: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide |
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 | | LWM | | Name: | [(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate | | Formula: | C11 H18 N5 O7 P | | SMILES: | O=C1C(NC=O)=C(N=C(N)N1)NC2CC(COP(=O)(O)O)C(O)C2 | | InChi: | InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1 | | Definition date: | 2012-08-07 | | Last modified: | 2013-02-15 | | Release date: | 2013-02-15 | | Identifier: | [(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
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 | | R1Z | | Name: | Delta-[Ru(bpy)2dppz]2+ | | Formula: | C38 H26 N8 Ru | | SMILES: | n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%11ccccn%11%12 | | InChi: | InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | | Definition date: | 2012-03-15 | | Last modified: | 2013-02-14 | | Identifier: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)ruthenium |
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 | | 1CJ | | Name: | (R)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol | | Formula: | C10 H12 N2 O2 | | SMILES: | n1cc(c2ccccn12)C(O)OCC | | InChi: | InChI=1S/C10H12N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7,10,13H,2H2,1H3/t10-/m1/s1 | | Definition date: | 2012-12-06 | | Last modified: | 2013-02-01 | | Release date: | 2013-02-01 | | Identifier: | (R)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol |
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 | | 1G0 | | Name: | cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | | Formula: | C22 H20 N4 O2 | | SMILES: | n1ccn2c(c1N)c(nc2C3CC(O)C3)c5ccc(Oc4ccccc4)cc5 | | InChi: | InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+ | | Definition date: | 2013-01-22 | | Last modified: | 2013-01-25 | | Release date: | 2013-01-25 | | Identifier: | cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol |
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 | | 0VE | | Name: | 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol | | Formula: | C22 H23 N5 O2 | | SMILES: | n1c(c3nccn3c(c1)c2cccc(O)c2)Nc4ccc(N(CC)CCO)cc4 | | InChi: | InChI=1S/C22H23N5O2/c1-2-26(12-13-28)18-8-6-17(7-9-18)25-21-22-23-10-11-27(22)20(15-24-21)16-4-3-5-19(29)14-16/h3-11,14-15,28-29H,2,12-13H2,1H3,(H,24,25) | | Definition date: | 2012-07-10 | | Last modified: | 2013-01-25 | | Release date: | 2013-01-25 | | Identifier: | 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol |
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 | | IUG | | Name: | 1-(2-NITROPHENYL)ETHYL UDP-GALACTOSE | | Formula: | C22 H30 N3 O19 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)COCc4ccccc4N(=O)O)O)O | | InChi: | InChI=1S/C22H31N3O19P2/c26-14-5-6-24(22(32)23-14)20-18(30)16(28)13(41-20)9-40-45(35,36)44-46(37,38)43-21-19(31)17(29)15(27)12(42-21)8-39-7-10-3-1-2-4-11(10)25(33)34/h1-6,12-13,15-21,25,27-31H,7-9H2,(H,33,34)(H,35,36)(H,37,38)(H,23,26,32)/t12-,13-,15+,16-,17+,18-,19-,20-,21-/m1/s1 | | Definition date: | 2012-12-17 | | Last modified: | 2013-01-18 | | Release date: | 2013-01-18 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[({2-[hydroxy(oxido)-lambda~5~-azanyl]benzyl}oxy)methyl]tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | L66 | | Name: | 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione | | Formula: | C22 H19 N5 O4 | | SMILES: | O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c3cc(O)ccc3C)c4)c5ccccc5OC | | InChi: | InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30) | | Definition date: | 2012-08-24 | | Last modified: | 2013-01-18 | | Release date: | 2013-01-18 | | Identifier: | 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
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