 | | VLA | | Name: | N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid | | Formula: | C20 H23 N7 O5 | | SMILES: | C(=O)(c3ccc(NCC=2CCc1c(c(nc(N)n1)N)N=2)cc3)NC(CCC(O)=O)C(=O)O | | InChi: | InChI=1S/C20H23N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,14,23H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t14-/m0/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid |
|
 | | VLD | | Name: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) | | Formula: | C30 H38 N9 O13 P | | SMILES: | N4(C(=O)NC(C(CN2c3c(nc(nc3CCC2CNc1ccc(C(NC(CCC(=O)O)C(=O)O)=O)cc1)N)N)=C4)=O)C5CC(C(COP(=O)(O)O)O5)O | | InChi: | InChI=1S/C30H38N9O13P/c31-25-24-18(35-29(32)36-25)6-5-17(10-33-16-3-1-14(2-4-16)26(43)34-19(28(45)46)7-8-23(41)42)38(24)11-15-12-39(30(47)37-27(15)44)22-9-20(40)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,33,40H,5-11,13H2,(H,34,43)(H,41,42)(H,45,46)(H,37,44,47)(H2,48,49,50)(H4,31,32,35,36)/t17-,19+,20+,21-,22-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) |
|
 | | YFG | | Name: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one | | Formula: | C20 H26 F N3 O2 S | | SMILES: | C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)NC4CCCC4)O | | InChi: | InChI=1S/C20H26FN3O2S/c21-16-9-13(22-12-3-1-2-4-12)10-17-19(16)20(26)24-18(23-17)11-27-15-7-5-14(25)6-8-15/h9-10,12,14-15,22,25H,1-8,11H2,(H,23,24,26)/t14-,15- | | Definition date: | 2021-02-24 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one |
|
 | | VMV | | Name: | N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid | | Formula: | C20 H25 N7 O5 | | SMILES: | c2(N)nc3CCC(CNc1ccc(C(NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N | | InChi: | InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12-,14-/m0/s1 | | Definition date: | 2020-08-28 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid |
|
 | | VNM | | Name: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) | | Formula: | C30 H38 N9 O13 P | | SMILES: | C1(=O)N(C=C(C(N1)=O)CN2c4c(N)nc(nc4CCC2CNc3ccc(C(NC(C(=O)O)CCC(O)=O)=O)cc3)N)C5CC(O)C(COP(O)(=O)O)O5 | | InChi: | InChI=1S/C30H38N9O13P/c31-25-24-18(35-29(32)36-25)6-5-17(10-33-16-3-1-14(2-4-16)26(43)34-19(28(45)46)7-8-23(41)42)38(24)11-15-12-39(30(47)37-27(15)44)22-9-20(40)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,33,40H,5-11,13H2,(H,34,43)(H,41,42)(H,45,46)(H,37,44,47)(H2,48,49,50)(H4,31,32,35,36)/t17-,19-,20-,21+,22+/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) |
|
 | | YXM | | Name: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide | | Formula: | C32 H35 N2 O5 P | | SMILES: | [O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)CCCCP(c1ccccc1)(c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C32H35N2O5P/c35-24-30(32(37)25-19-21-26(22-20-25)34(38)39)33-31(36)18-10-11-23-40(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,19-22,30,32,35,37,40H,10-11,18,23-24H2,(H,33,36)/t30-,32-/m1/s1 | | Definition date: | 2021-04-05 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide |
|
 | | TNW | | Name: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one | | Formula: | C17 H16 Cl N3 O | | SMILES: | CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13 | | InChi: | InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one |
|
 | | TNZ | | Name: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline | | Formula: | C15 H11 Cl N2 O | | SMILES: | COc1nc2ccc(Cl)cc2c(n1)c3ccccc3 | | InChi: | InChI=1S/C15H11ClN2O/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline |
|
 | | TO5 | | Name: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one | | Formula: | C15 H13 Cl N4 O | | SMILES: | CN(C)C1=NC(=O)N(c2cccnc2)c3cc(Cl)ccc13 | | InChi: | InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one |
|
 | | TO8 | | Name: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one | | Formula: | C10 H10 Cl N3 O | | SMILES: | CN(C)C1=NC(=O)Nc2cc(Cl)ccc12 | | InChi: | InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15) | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one |
|
 | | TOW | | Name: | 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one | | Formula: | C12 H14 Cl N3 O2 | | SMILES: | CN(C)C1=NC(=O)N(CCO)c2cc(Cl)ccc12 | | InChi: | InChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one |
|
 | | U4P | | Name: | 5'-deoxyuridine | | Formula: | C9 H12 N2 O5 | | SMILES: | O=C1NC(=O)C=CN1C2C(C(C(O2)C)O)O | | InChi: | InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2020-04-16 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 5'-deoxyuridine |
|
 | | TQB | | Name: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one | | Formula: | C16 H14 Cl N3 O | | SMILES: | CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13 | | InChi: | InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one |
|
 | | Y5Y | | Name: | cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone | | Formula: | C20 H24 N8 O | | SMILES: | CCn4c(nc1c4ncnc1NC3CCN(C(C2CC2)=O)C3)c5cnc(nc5)C | | InChi: | InChI=1S/C20H24N8O/c1-3-28-18(14-8-21-12(2)22-9-14)26-16-17(23-11-24-19(16)28)25-15-6-7-27(10-15)20(29)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3,(H,23,24,25)/t15-/m0/s1 | | Definition date: | 2021-02-05 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone |
|
 | | YO1 | | Name: | 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide | | Formula: | C24 H20 N10 O4 S4 | | SMILES: | O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1 | | InChi: | InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+ | | Synonyms: | NSC86314 | | Definition date: | 2021-03-15 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 4,4'-{(4,6-diamino-1,3-phenylene)bis[(E)-diazene-2,1-diyl]}bis[N-(1,3-thiazol-2-yl)benzene-1-sulfonamide] |
|
 | | WB7 | | Name: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide | | Formula: | C27 H29 Cl N2 O4 S2 | | SMILES: | O=C(NCc1ccc(S(=O)(=O)C)cc1)c4sc5C2(CCN(CC2)Cc3ccccc3Cl)OCCc5c4 | | InChi: | InChI=1S/C27H29ClN2O4S2/c1-36(32,33)22-8-6-19(7-9-22)17-29-26(31)24-16-20-10-15-34-27(25(20)35-24)11-13-30(14-12-27)18-21-4-2-3-5-23(21)28/h2-9,16H,10-15,17-18H2,1H3,(H,29,31) | | Definition date: | 2020-10-07 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide |
|
 | | U7S | | Name: | 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one | | Formula: | C20 H21 Br F N3 O S | | SMILES: | c3(c(Br)c(c(CNCCCNC=1Nc2c(C(C=1)=O)cccc2)s3)C)C(=C)F | | InChi: | InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26) | | Definition date: | 2020-04-30 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one |
|
 | | WBG | | Name: | 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C30 H27 N5 O2 | | SMILES: | c1cnc(cc1)NC5=C(C(n3c(c(c(c2ccccc2)n3)C4=CCCCC4)N5)=O)c6ccc(cc6)OC | | InChi: | InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,33H,2,4-5,11H2,1H3,(H,31,32) | | Definition date: | 2020-10-07 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | WBM | | Name: | 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C21 H16 N6 O | | SMILES: | c1cnnc1NC5=CC(n3c(c(c(c2ccccc2)n3)c4ccccc4)N5)=O | | InChi: | InChI=1S/C21H16N6O/c28-18-13-17(23-16-11-12-22-25-16)24-21-19(14-7-3-1-4-8-14)20(26-27(18)21)15-9-5-2-6-10-15/h1-13,24H,(H2,22,23,25) | | Definition date: | 2020-10-09 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | U81 | | Name: | 5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6H)-one | | Formula: | C19 H19 Br2 N3 O2 S | | SMILES: | c1(Br)cc(Br)cc2c1OCCC2NCCCNC3=CC(c4c(N3)ccs4)=O | | InChi: | InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1 | | Definition date: | 2020-04-30 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(4H)-one |
|
 | | WBS | | Name: | 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C27 H20 N6 O2 | | SMILES: | c6c(C=5C(n2c(c(c(c1ccccc1)n2)c3ccccc3)NC=5Nc4nncc4)=O)ccc(c6)O | | InChi: | InChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,30,34H,(H2,28,29,31) | | Definition date: | 2020-10-09 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | XRM | | Name: | 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one | | Formula: | C19 H25 F N4 O S | | SMILES: | c23c(N=C(CSC1CCNCC1)NC2=O)cc(cc3F)NC4CCCC4 | | InChi: | InChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25) | | Definition date: | 2021-01-07 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
|
 | | XRV | | Name: | 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C15 H12 F N7 | | SMILES: | c1(ccc(cc1)n2cc(cn2)Cc3cc(nc4c3nnn4)N)F | | InChi: | InChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22) | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
|
 | | XS1 | | Name: | 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C30 H32 N8 O | | SMILES: | c67C(c1cc(nc2c1nnn2)N)CCNC3CC(C(C3)Cc4ccccc4)Oc5cccc(c5)Cn(c6)nc7 | | InChi: | InChI=1S/C30H32N8O/c31-28-15-26(29-30(34-28)36-37-35-29)25-9-10-32-23-13-21(11-19-5-2-1-3-6-19)27(14-23)39-24-8-4-7-20(12-24)17-38-18-22(25)16-33-38/h1-8,12,15-16,18,21,23,25,27,32H,9-11,13-14,17H2,(H3,31,34,35,36,37)/t21-,23-,25-,27+/m0/s1 | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
|
 | | XSD | | Name: | 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C22 H19 N7 O | | SMILES: | c1(cc(ccc1)Cn4ncc(Cc2cc(N)nc3c2nnn3)c4)Oc5ccccc5 | | InChi: | InChI=1S/C22H19N7O/c23-20-11-17(21-22(25-20)27-28-26-21)9-16-12-24-29(14-16)13-15-5-4-8-19(10-15)30-18-6-2-1-3-7-18/h1-8,10-12,14H,9,13H2,(H3,23,25,26,27,28) | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
|
