 | | HEW | | Name: | 4-bromanylpyridin-2-amine | | Formula: | C5 H5 Br N2 | | SMILES: | Nc1cc(Br)ccn1 | | InChi: | InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8) | | Definition date: | 2018-12-04 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 4-bromanylpyridin-2-amine |
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 | | KVD | | Name: | 5-(phenylethynyl)pyridine-3-carboxylic acid | | Formula: | C14 H9 N O2 | | SMILES: | c1(ccccc1)C#Cc2cncc(C(O)=O)c2 | | InChi: | InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17) | | Definition date: | 2019-01-18 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 5-(phenylethynyl)pyridine-3-carboxylic acid |
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 | | HGH | | Name: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid | | Formula: | C13 H11 N5 O3 | | SMILES: | Nc1nc2[nH]cnc2c(Oc3cccc(CC(O)=O)c3)n1 | | InChi: | InChI=1S/C13H11N5O3/c14-13-17-11-10(15-6-16-11)12(18-13)21-8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18) | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid |
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 | | HGK | | Name: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid | | Formula: | C13 H11 N O4 | | SMILES: | OC(=O)Cc1ccc(OC2=CC=NC(=O)C2)cc1 | | InChi: | InChI=1S/C13H11NO4/c15-12-8-11(5-6-14-12)18-10-3-1-9(2-4-10)7-13(16)17/h1-6H,7-8H2,(H,16,17) | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid |
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 | | HGQ | | Name: | 4-bromanyl-1~{H}-pyridin-2-one | | Formula: | C5 H4 Br N O | | SMILES: | BrC1=CC(=O)NC=C1 | | InChi: | InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8) | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 4-bromanyl-1~{H}-pyridin-2-one |
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 | | HGW | | Name: | 5-iodanylpyrimidine | | Formula: | C4 H3 I N2 | | SMILES: | Ic1cncnc1 | | InChi: | InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 5-iodanylpyrimidine |
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 | | KW1 | | Name: | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid | | Formula: | C8 H9 Br N2 O4 S | | SMILES: | C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O | | InChi: | InChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12) | | Definition date: | 2019-01-18 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid |
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 | | HH5 | | Name: | 6-iodanyl-7~{H}-purin-2-amine | | Formula: | C5 H4 I N5 | | SMILES: | Nc1nc(I)c2[nH]cnc2n1 | | InChi: | InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11) | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 6-iodanyl-7~{H}-purin-2-amine |
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 | | HH8 | | Name: | 4-bromanyl-1,8-naphthyridine | | Formula: | C8 H5 Br N2 | | SMILES: | Brc1ccnc2ncccc12 | | InChi: | InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 4-bromanyl-1,8-naphthyridine |
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 | | HHB | | Name: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid | | Formula: | C12 H11 N3 O2 | | SMILES: | OC(=O)Cc1cccc(Nc2ccncn2)c1 | | InChi: | InChI=1S/C12H11N3O2/c16-12(17)7-9-2-1-3-10(6-9)15-11-4-5-13-8-14-11/h1-6,8H,7H2,(H,16,17)(H,13,14,15) | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid |
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 | | KWG | | Name: | 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid | | Formula: | C19 H13 N O2 | | SMILES: | c3c(C#Cc1cccc(C(O)=O)c1n2cccc2)cccc3 | | InChi: | InChI=1S/C19H13NO2/c21-19(22)17-10-6-9-16(18(17)20-13-4-5-14-20)12-11-15-7-2-1-3-8-15/h1-10,13-14H,(H,21,22) | | Definition date: | 2019-01-21 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid |
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 | | HHN | | Name: | 5-bromanylpyrimidine | | Formula: | C4 H3 Br N2 | | SMILES: | Brc1cncnc1 | | InChi: | InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 5-bromanylpyrimidine |
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 | | HHQ | | Name: | 4-iodanyl-3~{H}-pyridin-2-one | | Formula: | C5 H4 I N O | | SMILES: | IC1=CC=NC(=O)C1 | | InChi: | InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2 | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 4-iodanyl-3~{H}-pyridin-2-one |
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 | | HHT | | Name: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid | | Formula: | C9 H9 Br O3 | | SMILES: | COc1cc(Br)ccc1CC(O)=O | | InChi: | InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12) | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid |
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 | | HHW | | Name: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid | | Formula: | C16 H12 Cl N O3 | | SMILES: | OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2 | | InChi: | InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+ | | Definition date: | 2018-12-06 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid |
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 | | HJK | | Name: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid | | Formula: | C13 H11 N5 O2 | | SMILES: | Nc1nc2[nH]cnc2c(n1)c3cccc(CC(O)=O)c3 | | InChi: | InChI=1S/C13H11N5O2/c14-13-17-10(11-12(18-13)16-6-15-11)8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18) | | Definition date: | 2018-12-10 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid |
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 | | HQG | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C15 H24 N5 O17 P3 | | SMILES: | C2(C(C(C(COP(O)(=O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O2)O)O)n3c4c(nc3)c(ncn4)N | | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | | Definition date: | 2018-07-16 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 9TO | | Name: | N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine | | Formula: | C19 H16 N6 O | | SMILES: | c1ncccc1c4c(c3ccnc(Nc2ccc(OC)cc2)n3)cnn4 | | InChi: | InChI=1S/C19H16N6O/c1-26-15-6-4-14(5-7-15)23-19-21-10-8-17(24-19)16-12-22-25-18(16)13-3-2-9-20-11-13/h2-12H,1H3,(H,22,25)(H,21,23,24) | | Definition date: | 2018-07-30 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine |
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 | | 9Z3 | | Name: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine | | Formula: | C12 H23 N2 O9 P S | | SMILES: | C(=O)(C(C(C)(COP(O)(O)=O)C)O)NCCC(=O)NC(C(O)=O)CS | | InChi: | InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1 | | Definition date: | 2018-08-31 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine |
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 | | 9Z6 | | Name: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) | | Formula: | C15 H28 N3 O11 P S2 | | SMILES: | C(=O)(C(O)C(C)(COP(O)(=O)O)C)NCCC(NC(C(=O)O)CSSCC(N)C(O)=O)=O | | InChi: | InChI=1S/C15H28N3O11PS2/c1-15(2,7-29-30(26,27)28)11(20)12(21)17-4-3-10(19)18-9(14(24)25)6-32-31-5-8(16)13(22)23/h8-9,11,20H,3-7,16H2,1-2H3,(H,17,21)(H,18,19)(H,22,23)(H,24,25)(H2,26,27,28)/t8-,9-,11-/m0/s1 | | Definition date: | 2018-08-31 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) |
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 | | 9DC | | Name: | (2S)-2,3-disulfanylpropan-1-ol | | Formula: | C3 H8 O S2 | | SMILES: | OCC(S)CS | | InChi: | InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m0/s1 | | Definition date: | 2018-03-20 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (2S)-2,3-disulfanylpropan-1-ol |
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 | | 9DU | | Name: | (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide | | Formula: | C11 H15 N O S | | SMILES: | C[CH](CS)C(=O)NCc1ccccc1 | | InChi: | InChI=1S/C11H15NOS/c1-9(8-14)11(13)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,12,13)/t9-/m0/s1 | | Definition date: | 2018-03-20 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (2~{R})-2-methyl-~{N}-(phenylmethyl)-3-sulfanyl-propanamide |
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 | | 9EL | | Name: | (2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile | | Formula: | C21 H15 F3 N2 O2 | | SMILES: | c4(F)c(C3Oc2c(c1cc(OC)c(C#N)cc1cc2)CC3N)cc(c(c4)F)F | | InChi: | InChI=1S/C21H15F3N2O2/c1-27-20-7-12-10(4-11(20)9-25)2-3-19-13(12)6-18(26)21(28-19)14-5-16(23)17(24)8-15(14)22/h2-5,7-8,18,21H,6,26H2,1H3/t18-,21+/m0/s1 | | Definition date: | 2018-03-28 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile |
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 | | 9EX | | Name: | (2S)-2-methyl-3-sulfanyl-propan-1-ol | | Formula: | C4 H10 O S | | SMILES: | C[CH](CO)CS | | InChi: | InChI=1S/C4H10OS/c1-4(2-5)3-6/h4-6H,2-3H2,1H3/t4-/m0/s1 | | Definition date: | 2018-03-30 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (2~{S})-2-methyl-3-sulfanyl-propan-1-ol |
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 | | 8VU | | Name: | (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one | | Formula: | C19 H26 F3 N3 O3 | | SMILES: | C(CC(Cc1c(cc(c(c1)F)F)F)N)(N2C(COC(C)(C)C)C(NCC2)=O)=O | | InChi: | InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1 | | Definition date: | 2017-10-10 | | Last modified: | 2019-03-15 | | Release date: | 2019-03-20 | | Identifier: | (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butoxymethyl)piperazin-2-one |
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