 | | 74O | | Name: | 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine | | Formula: | C19 H18 N8 | | SMILES: | Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)c5c[nH]nc5 | | InChi: | InChI=1S/C19H18N8/c1-27-18(19(7-8-19)13-5-3-2-4-6-13)25-17(26-27)14-11-21-16(20)15(24-14)12-9-22-23-10-12/h2-6,9-11H,7-8H2,1H3,(H2,20,21)(H,22,23) | | Definition date: | 2016-08-24 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine |
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 | | 7MF | | Name: | [(7~{S})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | | Formula: | C17 H19 Br N O2 | | SMILES: | [NH3+][CH]1CCc2c(Br)ccc(c2CC1(O)O)c3ccccc3 | | InChi: | InChI=1S/C17H18BrNO2/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20,21)16(19)9-7-13(14)15/h1-6,8,16,20-21H,7,9-10,19H2/p+1/t16-/m0/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | [(7~{S})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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 | | 7MK | | Name: | [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | | Formula: | C11 H16 N O2 | | SMILES: | [NH3+][CH]1CCc2ccccc2CC1(O)O | | InChi: | InChI=1S/C11H15NO2/c12-10-6-5-8-3-1-2-4-9(8)7-11(10,13)14/h1-4,10,13-14H,5-7,12H2/p+1/t10-/m0/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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 | | 7ML | | Name: | [(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | | Formula: | C17 H20 N O2 | | SMILES: | [NH3+][CH]1CCc2cccc(c3ccccc3)c2CC1(O)O | | InChi: | InChI=1S/C17H19NO2/c18-16-10-9-13-7-4-8-14(12-5-2-1-3-6-12)15(13)11-17(16,19)20/h1-8,16,19-20H,9-11,18H2/p+1/t16-/m0/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | [(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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 | | 7O9 | | Name: | (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid | | Formula: | C19 H17 F3 N2 O6 | | SMILES: | N[CH]([CH](OCc1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C19H17F3N2O6/c20-19(21,22)12-6-4-11(5-7-12)16(25)24-13-3-1-2-10(8-13)9-30-15(18(28)29)14(23)17(26)27/h1-8,14-15H,9,23H2,(H,24,25)(H,26,27)(H,28,29)/t14-,15-/m0/s1 | | Definition date: | 2016-12-02 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid |
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 | | 7VO | | Name: | (2S,3S)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid | | Formula: | C14 H23 N2 O7 P | | SMILES: | CC[CH](C)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C14H23N2O7P/c1-4-8(2)12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5,8,12,16-17H,4,6-7H2,1-3H3,(H,18,19)(H2,20,21,22)/t8-,12-/m0/s1 | | Definition date: | 2017-01-19 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | (2~{S},3~{S})-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid |
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 | | 8WY | | Name: | 5,5-dihydroxy-L-norleucine | | Formula: | C6 H13 N O4 | | SMILES: | O=C(O)C(N)CCC(O)(O)C | | InChi: | InChI=1S/C6H13NO4/c1-6(10,11)3-2-4(7)5(8)9/h4,10-11H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1 | | Definition date: | 2017-03-15 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 5,5-dihydroxy-L-norleucine |
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 | | 8X2 | | Name: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one | | Formula: | C22 H25 N7 O | | SMILES: | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4[nH]c5CCNC(=O)c5c4)cc2 | | InChi: | InChI=1S/C22H25N7O/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)25-22-24-9-7-19(27-22)20-14-17-18(26-20)6-8-23-21(17)30/h2-5,7,9,14,26H,6,8,10-13H2,1H3,(H,23,30)(H,24,25,27) | | Definition date: | 2017-03-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
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 | | 8X5 | | Name: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C23 H25 N5 O2 | | SMILES: | O=C1N(CCc2[nH]c(cc12)c3ccnc(NC4CCOCC4)n3)Cc5ccccc5 | | InChi: | InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27) | | Definition date: | 2017-03-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
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 | | 8XB | | Name: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C20 H25 N7 O2 | | SMILES: | COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C | | InChi: | InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1 | | Definition date: | 2017-03-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
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 | | 8XE | | Name: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C18 H21 N7 O2 | | SMILES: | COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3 | | InChi: | InChI=1S/C18H21N7O2/c1-24-16(4-7-20-24)23-18-19-6-3-14(22-18)15-11-12-13(21-15)5-8-25(17(12)26)9-10-27-2/h3-4,6-7,11,21H,5,8-10H2,1-2H3,(H,19,22,23) | | Definition date: | 2017-03-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
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 | | 8XH | | Name: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C19 H25 N5 O3 | | SMILES: | COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(NC4CCOCC4)n3 | | InChi: | InChI=1S/C19H25N5O3/c1-26-11-8-24-7-3-15-14(18(24)25)12-17(22-15)16-2-6-20-19(23-16)21-13-4-9-27-10-5-13/h2,6,12-13,22H,3-5,7-11H2,1H3,(H,20,21,23) | | Definition date: | 2017-03-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
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 | | 8XK | | Name: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one | | Formula: | C19 H23 N7 O2 | | SMILES: | COCCN1CCc2n(C)c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3 | | InChi: | InChI=1S/C19H23N7O2/c1-24-15-6-9-26(10-11-28-3)18(27)13(15)12-16(24)14-4-7-20-19(22-14)23-17-5-8-21-25(17)2/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,22,23) | | Definition date: | 2017-03-22 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one |
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 | | 8XN | | Name: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C20 H25 N7 O2 | | SMILES: | COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C | | InChi: | InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1 | | Definition date: | 2017-03-22 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
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 | | 92N | | Name: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde | | Formula: | C14 H11 B O4 | | SMILES: | OB1OCc2cc(Oc3ccc(C=O)cc3)ccc12 | | InChi: | InChI=1S/C14H11BO4/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-8,17H,9H2 | | Definition date: | 2017-04-10 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde |
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 | | 6HH | | Name: | 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid | | Formula: | C23 H21 Cl N2 O2 | | SMILES: | c4c(C1(CCCC1)C(=O)O)ccc(c2cc(c(N)nc2)c3ccc(cc3)Cl)c4 | | InChi: | InChI=1S/C23H21ClN2O2/c24-19-9-5-16(6-10-19)20-13-17(14-26-21(20)25)15-3-7-18(8-4-15)23(22(27)28)11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H2,25,26)(H,27,28) | | Definition date: | 2016-04-11 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid |
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 | | 6J7 | | Name: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one | | Formula: | C10 H11 Br N5 O7 P | | SMILES: | Brc2nc1C(=O)NC(=Nc1n2C3C(O)C4C(O3)COP(O4)(=O)O)N | | InChi: | InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1 | | Definition date: | 2016-04-13 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one |
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 | | 8EQ | | Name: | 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid | | Formula: | C12 H12 Cl N O5 | | SMILES: | CCOc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl | | InChi: | InChI=1S/C12H12ClNO5/c1-2-18-9-6-10-8(5-7(9)13)14(12(17)19-10)4-3-11(15)16/h5-6H,2-4H2,1H3,(H,15,16) | | Definition date: | 2017-01-31 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
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 | | 8F4 | | Name: | (3~{S})-3-azanylazepan-2-one | | Formula: | C6 H12 N2 O | | SMILES: | N[CH]1CCCCNC1=O | | InChi: | InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1 | | Definition date: | 2016-10-19 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | (3~{S})-3-azanylazepan-2-one |
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 | | 8M7 | | Name: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide | | Formula: | C19 H27 N3 O7 | | SMILES: | C(C)C(CC)C(NC1C(C(O)C(CO)OC/1=N/OC(Nc2ccccc2)=O)O)=O | | InChi: | InChI=1S/C19H27N3O7/c1-3-11(4-2)17(26)21-14-16(25)15(24)13(10-23)28-18(14)22-29-19(27)20-12-8-6-5-7-9-12/h5-9,11,13-16,23-25H,3-4,10H2,1-2H3,(H,20,27)(H,21,26)/b22-18-/t13-,14-,15-,16-/m1/s1 | | Definition date: | 2017-02-16 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide (non-preferred name) |
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 | | 8MP | | Name: | N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide | | Formula: | C10 H20 N2 O4 | | SMILES: | C(C(NC1CNCC(C(C1O)O)O)=O)CC | | InChi: | InChI=1S/C10H20N2O4/c1-2-3-8(14)12-6-4-11-5-7(13)10(16)9(6)15/h6-7,9-11,13,15-16H,2-5H2,1H3,(H,12,14)/t6-,7-,9+,10+/m0/s1 | | Definition date: | 2017-02-17 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide |
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 | | 8QB | | Name: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one | | Formula: | C16 H19 N5 O2 | | SMILES: | O=C1NCCn2cc(cc12)c3ccnc(NC4CCOCC4)n3 | | InChi: | InChI=1S/C16H19N5O2/c22-15-14-9-11(10-21(14)6-5-17-15)13-1-4-18-16(20-13)19-12-2-7-23-8-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,17,22)(H,18,19,20) | | Definition date: | 2017-02-24 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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 | | F31 | | Name: | 1-(4-azanyl-3-methoxy-phenyl)ethanone | | Formula: | C9 H11 N O2 | | SMILES: | COc1cc(ccc1N)C(C)=O | | InChi: | InChI=1S/C9H11NO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,10H2,1-2H3 | | Definition date: | 2016-12-20 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 1-(4-azanyl-3-methoxy-phenyl)ethanone |
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 | | FYK | | Name: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | | Formula: | C13 H12 Cl N O5 | | SMILES: | OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12 | | InChi: | InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17) | | Definition date: | 2017-01-31 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 3-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
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 | | GF0 | | Name: | 2'-deoxy-2'-fluoroguanosine | | Formula: | C10 H12 F N5 O4 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3F | | InChi: | InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1 | | Definition date: | 2016-11-14 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
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