 | | 87N | | Name: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C18 H29 N3 O15 P2 | | SMILES: | CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O | | InChi: | InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14-,15-,17-/m1/s1 | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (2R,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 87Z | | Name: | [(2~{R},3~{R},4~{S},5~{R},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C18 H29 N3 O15 P2 | | SMILES: | CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O | | InChi: | InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1 | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 89W | | Name: | N-[(3R)-piperidin-3-yl]benzamide | | Formula: | C12 H16 N2 O | | SMILES: | O=C(NC1CCCNC1)c1ccccc1 | | InChi: | InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(3R)-piperidin-3-yl]benzamide |
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 | | 8A5 | | Name: | 4-[(3,4-dimethoxyphenyl)methyl]morpholine | | Formula: | C13 H19 N O3 | | SMILES: | COc1ccc(cc1OC)CN1CCOCC1 | | InChi: | InChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-[(3,4-dimethoxyphenyl)methyl]morpholine |
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 | | 8AB | | Name: | (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine | | Formula: | C11 H17 N3 | | SMILES: | Cc1nc(ccc1)N1CC(C)NCC1 | | InChi: | InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m0/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine |
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 | | 8AK | | Name: | N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide | | Formula: | C11 H16 N2 O2 | | SMILES: | Cc1cc(no1)C(=O)N(C1CC1)C(C)C | | InChi: | InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide |
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 | | 8B2 | | Name: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine | | Formula: | C12 H18 N2 O | | SMILES: | CC(N)c1ccc(cc1)N1CCOCC1 | | InChi: | InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine |
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 | | 8BC | | Name: | 2-acetamido-6-fluorobenzoic acid | | Formula: | C9 H8 F N O3 | | SMILES: | O=C(C)Nc1cccc(F)c1C(=O)O | | InChi: | InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 2-acetamido-6-fluorobenzoic acid |
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 | | 8BI | | Name: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine | | Formula: | C12 H21 N3 | | SMILES: | CC1(C)CC(NCc2cc[NH]n2)C(C)C1 | | InChi: | InChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine |
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 | | 8C2 | | Name: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine | | Formula: | C12 H21 N3 | | SMILES: | Cc1n[NH]c(C)c1CNC1CCCCC1 | | InChi: | InChI=1S/C12H21N3/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h11,13H,3-8H2,1-2H3,(H,14,15) | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine |
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 | | 8CH | | Name: | methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate | | Formula: | C9 H17 N O4 S | | SMILES: | CC1CCCN(C1C(=O)OC)S(=O)(C)=O | | InChi: | InChI=1S/C9H17NO4S/c1-7-5-4-6-10(15(3,12)13)8(7)9(11)14-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate |
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 | | 8CZ | | Name: | N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide | | Formula: | C11 H16 N2 O S | | SMILES: | O=C(N(C)C(C)C1CC1)c1scnc1C | | InChi: | InChI=1S/C11H16N2OS/c1-7-10(15-6-12-7)11(14)13(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3/t8-/m0/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide |
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 | | 8D8 | | Name: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide | | Formula: | C11 H14 N2 O2 | | SMILES: | O=C(NC(C)C1CC1)C1C=CC=NC1=O | | InChi: | InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-9H,4-5H2,1H3,(H,13,15)/t7-,9?/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide |
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 | | 8DH | | Name: | N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide | | Formula: | C8 H17 N3 O3 S | | SMILES: | O=C1CN(CCN1)S(=O)(=O)N(C)C(C)C | | InChi: | InChI=1S/C8H17N3O3S/c1-7(2)10(3)15(13,14)11-5-4-9-8(12)6-11/h7H,4-6H2,1-3H3,(H,9,12) | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide |
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 | | Z26 | | Name: | 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C18 H15 Cl N2 O2 | | SMILES: | Clc1cc(CC(=O)Nc2cncc3ccccc32)c(OC)cc1 | | InChi: | InChI=1S/C18H15ClN2O2/c1-23-17-7-6-14(19)8-13(17)9-18(22)21-16-11-20-10-12-4-2-3-5-15(12)16/h2-8,10-11H,9H2,1H3,(H,21,22) | | Definition date: | 2021-09-08 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | UHZ | | Name: | (5-methanoyl-2-nitro-phenyl) methanesulfonate | | Formula: | C8 H7 N O6 S | | SMILES: | C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O | | InChi: | InChI=1S/C8H7NO6S/c1-16(13,14)15-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | (5-methanoyl-2-nitro-phenyl) methanesulfonate |
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 | | UXT | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C33 H43 N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3 | | InChi: | InChI=1S/C33H43N7O/c1-32(2)12-16-38(17-13-32)22-27-8-10-28(11-9-27)40-23-31(41)37-33(24-40)14-18-39(19-15-33)30-20-29(35-25-36-30)34-21-26-6-4-3-5-7-26/h3-11,20,25H,12-19,21-24H2,1-2H3,(H,37,41)(H,34,35,36) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UXZ | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C27 H39 N7 O | | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C27H39N7O/c1-26(2)8-12-32(13-9-26)17-21-4-6-22(7-5-21)34-18-25(35)31-27(19-34)10-14-33(15-11-27)24-16-23(28-3)29-20-30-24/h4-7,16,20H,8-15,17-19H2,1-3H3,(H,31,35)(H,28,29,30) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UY2 | | Name: | 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one | | Formula: | C26 H37 N7 O | | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(C(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C26H37N7O/c1-25(2)8-12-31(13-9-25)17-20-4-6-21(7-5-20)33-18-26(30-24(33)34)10-14-32(15-11-26)23-16-22(27-3)28-19-29-23/h4-7,16,19H,8-15,17-18H2,1-3H3,(H,30,34)(H,27,28,29) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one |
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 | | UY5 | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C29 H43 N7 O | | SMILES: | CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C29H43N7O/c1-22(2)32-25-17-26(31-21-30-25)35-15-11-29(12-16-35)20-36(19-27(37)33-29)24-7-5-23(6-8-24)18-34-13-9-28(3,4)10-14-34/h5-8,17,21-22H,9-16,18-20H2,1-4H3,(H,33,37)(H,30,31,32) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | Y6Y | | Name: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine | | Formula: | C27 H28 N4 O3 S2 | | SMILES: | Cc1cc(OCc2nnc(SC3CCCC3)n2c4cccnc4)ccc1c5ccc(cc5)[S](C)(=O)=O | | InChi: | InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3 | | Definition date: | 2021-02-08 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine |
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 | | UYZ | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C28 H37 N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5ncnc6[nH]ccc56)C3 | | InChi: | InChI=1S/C28H37N7O/c1-27(2)8-13-33(14-9-27)17-21-3-5-22(6-4-21)35-18-24(36)32-28(19-35)10-15-34(16-11-28)26-23-7-12-29-25(23)30-20-31-26/h3-7,12,20H,8-11,13-19H2,1-2H3,(H,32,36)(H,29,30,31) | | Synonyms: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UZ2 | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C28 H41 N7 O | | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3C)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C28H41N7O/c1-27(2)9-13-33(14-10-27)18-22-5-7-23(8-6-22)35-19-26(36)32(4)28(20-35)11-15-34(16-12-28)25-17-24(29-3)30-21-31-25/h5-8,17,21H,9-16,18-20H2,1-4H3,(H,29,30,31) | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UZB | | Name: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C28 H36 Cl N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5nc(Cl)nc6[nH]ccc56)C3 | | InChi: | InChI=1S/C28H36ClN7O/c1-27(2)8-13-34(14-9-27)17-20-3-5-21(6-4-20)36-18-23(37)33-28(19-36)10-15-35(16-11-28)25-22-7-12-30-24(22)31-26(29)32-25/h3-7,12H,8-11,13-19H2,1-2H3,(H,33,37)(H,30,31,32) | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | VJZ | | Name: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine | | Formula: | C23 H23 N7 O | | SMILES: | CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C | | InChi: | InChI=1S/C23H23N7O/c1-15-11-18(20-12-25-29(4)16(20)2)6-7-19(15)22-26-27-23(31-22)28(3)13-17-5-8-21-24-9-10-30(21)14-17/h5-12,14H,13H2,1-4H3 | | Definition date: | 2021-05-20 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine |
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