CAS RN: 1185245-36-6
CAS Name: (E)-2-butenedioic acid; 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-2-benzofuranyl]ethanol
OPENEYE Name: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)benzofuran-2-yl]ethanol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
MOLECULAR FORMULA: C20H27NO7
MOLECULAR WEIGHT: 393.43088
SMILES: CC(C1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O)O.C(=C/C(=O)O)\C(=O)O
CAS RN: 1219798-99-8
CAS Name: 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 350.359267
SMILES: [2H]C1=C(C(=C(C(=C1[2H])C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC)[N+](=O)[O-])[2H])[2H]
CAS RN: 1173023-46-5
CAS Name: 2,6-di(methyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-di(methyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-di(methyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-di(methyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 354.275859
SMILES: CO[13C](=O)[13C]1=[13C](N[13C](=[13C](C1C2=CC=CC=C2[N+](=O)[O-])[13C](=O)OC)[13CH3])[13CH3]
CAS RN: 78800-57-4
CAS Name: (2R)-2-(tert-butylamino)-1-(3-chloro-4-hydroxyphenyl)-1-propanone
OPENEYE Name: (2R)-2-(tert-butylamino)-1-(3-chloro-4-hydroxy-phenyl)propan-1-one
IUPAC Name: (2R)-2-(tert-butylamino)-1-(3-chloro-4-hydroxyphenyl)propan-1-one
SYSTEMATIC NAME: (2R)-2-(tert-butylamino)-1-(3-chloranyl-4-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: C[C@H](C(=O)C1=CC(=C(C=C1)O)Cl)NC(C)(C)C
CAS RN: 1215071-07-0
CAS Name: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-propanol
OPENEYE Name: 1-(3-chlorophenyl)-2-[[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethyl]amino]propan-1-ol
IUPAC Name: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-ol
SYSTEMATIC NAME: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-ol
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 250.812456
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(C1=CC(=CC=C1)Cl)O
CAS RN: 1135316-80-1
CAS Name: potassium (3,4,5,6,8-pentadeuterio-2-oxo-1-benzopyran-7-yl) sulfate
OPENEYE Name: potassium (3,4,5,6,8-pentadeuterio-2-oxo-chromen-7-yl) sulfate
IUPAC Name: potassium (3,4,5,6,8-pentadeuterio-2-oxochromen-7-yl) sulfate
SYSTEMATIC NAME: potassium (3,4,5,6,8-pentadeuterio-2-oxidanylidene-chromen-7-yl) sulfate
MOLECULAR FORMULA: C9H5KO6S
MOLECULAR WEIGHT: 285.326509
SMILES: [2H]C1=C(C(=C(C2=C1C(=C(C(=O)O2)[2H])[2H])[2H])OS(=O)(=O)[O-])[2H].[K+]
CAS RN: 638163-36-7
CAS Name: (1S,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (1S,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (1S,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (1S,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 292.449067
SMILES: [H][C@@]1(CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC([C@]4([2H])O)([2H])[2H])C)C)[2H]
CAS RN: 638163-38-9
CAS Name: (1S,6R,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (1S,6R,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (1S,6R,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (1S,6R,8R,9S,10R,13S,14S,17S)-1,16,16,17-tetradeuterio-10,13-dimethyl-6,17-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 308.448467
SMILES: [H][C@@]1(CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]2O)CC([C@]4([2H])O)([2H])[2H])C)C)[2H]
CAS RN: 1062120-53-9
CAS Name: 1-chloro-2,3,4,6-tetradeuterio-5-iodobenzene
OPENEYE Name: 1-chloro-2,3,4,6-tetradeuterio-5-iodo-benzene
IUPAC Name: 1-chloro-2,3,4,6-tetradeuterio-5-iodobenzene
SYSTEMATIC NAME: 1-chloranyl-2,3,4,6-tetradeuterio-5-iodanyl-benzene
MOLECULAR FORMULA: C6H4ClI
MOLECULAR WEIGHT: 242.478077
SMILES: [2H]C1=C(C(=C(C(=C1[2H])I)[2H])Cl)[2H]
CAS RN: 1173019-28-7
CAS Name: 4-chlorobenzoic acid
OPENEYE Name: 4-chlorobenzoic acid
IUPAC Name: 4-chlorobenzoic acid
SYSTEMATIC NAME: 4-chloranylbenzoic acid
MOLECULAR FORMULA: C7H5ClO2
MOLECULAR WEIGHT: 162.522329
SMILES: [13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(=O)O)Cl
CAS RN: 1219795-28-4
CAS Name: 2-chloro-3,4,5,6-tetradeuteriobenzoic acid
OPENEYE Name: 2-chloro-3,4,5,6-tetradeuterio-benzoic acid
IUPAC Name: 2-chloro-3,4,5,6-tetradeuteriobenzoic acid
SYSTEMATIC NAME: 2-chloranyl-3,4,5,6-tetradeuterio-benzoic acid
MOLECULAR FORMULA: C7H5ClO2
MOLECULAR WEIGHT: 160.591047
SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)Cl)[2H])[2H]
CAS RN: 849482-21-9
CAS Name: 2,2,3,3,5,5,6,6-octadeuteriopiperazine dihydrochloride
OPENEYE Name: 2,2,3,3,5,5,6,6-octadeuteriopiperazine dihydrochloride
IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriopiperazine dihydrochloride
SYSTEMATIC NAME: 2,2,3,3,5,5,6,6-octadeuteriopiperazine dihydrochloride
MOLECULAR FORMULA: C4H12Cl2N2
MOLECULAR WEIGHT: 167.106774
SMILES: [2H]C1(C(NC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H].Cl.Cl
CAS RN: 362049-61-4
CAS Name: 1,2,2,3,3,4,5,5,6,6-decadeuteriopiperazine
OPENEYE Name: 1,2,2,3,3,4,5,5,6,6-decadeuteriopiperazine
IUPAC Name: 1,2,2,3,3,4,5,5,6,6-decadeuteriopiperazine
SYSTEMATIC NAME: 1,2,2,3,3,4,5,5,6,6-decadeuteriopiperazine
MOLECULAR FORMULA: C4H10N2
MOLECULAR WEIGHT: 96.197218
SMILES: [2H]C1(C(N(C(C(N1[2H])([2H])[2H])([2H])[2H])[2H])([2H])[2H])[2H]
CAS RN: 1107650-56-5
CAS Name: 2,2,3,3,5,5,6,6-octadeuteriomorpholine hydrochloride
OPENEYE Name: 2,2,3,3,5,5,6,6-octadeuteriomorpholine hydrochloride
IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriomorpholine hydrochloride
SYSTEMATIC NAME: 2,2,3,3,5,5,6,6-octadeuteriomorpholine hydrochloride
MOLECULAR FORMULA: C4H10ClNO
MOLECULAR WEIGHT: 131.630594
SMILES: [2H]C1(C(OC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H].Cl
CAS RN: 203578-31-8
CAS Name: 2,2,3,3,4,5,5,6,6-nonadeuteriomorpholine
OPENEYE Name: 2,2,3,3,4,5,5,6,6-nonadeuteriomorpholine
IUPAC Name: 2,2,3,3,4,5,5,6,6-nonadeuteriomorpholine
SYSTEMATIC NAME: 2,2,3,3,4,5,5,6,6-nonadeuteriomorpholine
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 96.175816
SMILES: [2H]C1(C(OC(C(N1[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
CAS RN: 525586-93-0
CAS Name: piperazine dihydrochloride
OPENEYE Name: piperazine dihydrochloride
IUPAC Name: piperazine dihydrochloride
SYSTEMATIC NAME: piperazine dihydrochloride
MOLECULAR FORMULA: C4H12Cl2N2
MOLECULAR WEIGHT: 163.028099
SMILES: [13CH2]1[13CH2]N[13CH2][13CH2]N1.Cl.Cl
CAS RN: 525586-93-0
CAS Name: piperazine
OPENEYE Name: piperazine
IUPAC Name: piperazine
SYSTEMATIC NAME: piperazine
MOLECULAR FORMULA: C4H10N2
MOLECULAR WEIGHT: 90.106219
SMILES: [13CH2]1[13CH2]N[13CH2][13CH2]N1
CAS RN: 1217024-56-0
CAS Name: morpholine
OPENEYE Name: morpholine
IUPAC Name: morpholine
SYSTEMATIC NAME: morpholine
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 91.090979
SMILES: [13CH2]1[13CH2]O[13CH2][13CH2]N1
CAS RN: 1093351-56-4
CAS Name: (2S)-2-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetic acid methyl ester
OPENEYE Name: methyl (2S)-2-(2-chloro-3,4,5,6-tetradeuterio-phenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate
IUPAC Name: methyl (2S)-2-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate
SYSTEMATIC NAME: methyl (2S)-2-(2-chloranyl-3,4,5,6-tetradeuterio-phenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanoate
MOLECULAR FORMULA: C16H16ClNO2S
MOLECULAR WEIGHT: 325.846387
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[C@@H](C(=O)OC)N2CCC3=C(C2)SC=C3)Cl)[2H])[2H]
CAS RN: 109904-27-0
CAS Name: (2S)-2-(2-chlorophenyl)-2-(2-oxo-4,5,7,7a-tetrahydrothieno[2,3-c]pyridin-6-yl)acetic acid methyl ester
OPENEYE Name: methyl (2S)-2-(2-chlorophenyl)-2-(2-oxo-4,5,7,7a-tetrahydrothieno[2,3-c]pyridin-6-yl)acetate
IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(2-oxo-4,5,7,7a-tetrahydrothieno[2,3-c]pyridin-6-yl)acetate
SYSTEMATIC NAME: methyl (2S)-2-(2-chlorophenyl)-2-(2-oxidanylidene-4,5,7,7a-tetrahydrothieno[2,3-c]pyridin-6-yl)ethanoate
MOLECULAR FORMULA: C16H16ClNO3S
MOLECULAR WEIGHT: 337.82114
SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=CC(=O)SC3C2
CAS RN: 144457-28-3
CAS Name: (2S)-2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetic acid
OPENEYE Name: (2S)-2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetic acid
IUPAC Name: (2S)-2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetic acid
SYSTEMATIC NAME: (2S)-2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanoic acid
MOLECULAR FORMULA: C15H14ClNO2S
MOLECULAR WEIGHT: 307.79516
SMILES: C1CN(CC2=C1C=CS2)[C@@H](C3=CC=CC=C3Cl)C(=O)O
CAS RN: 857091-32-8
CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(2,2,3,3,5,5,6,6-octadeuterio-4-morpholinyl)propoxy]-4-quinazolinamine
OPENEYE Name: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propoxy]quinazolin-4-amine
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propoxy]quinazolin-4-amine
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propoxy]quinazolin-4-amine
MOLECULAR FORMULA: C22H24ClFN4O3
MOLECULAR WEIGHT: 454.951657
SMILES: [2H]C1(C(OC(C(N1CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
CAS RN: 1210608-91-5
CAS Name: N-(3-chloro-4-fluorophenyl)-6-[3-(4-morpholinyl)propoxy]-7-(trideuteriomethoxy)-4-quinazolinamine
OPENEYE Name: N-(3-chloro-4-fluoro-phenyl)-6-(3-morpholinopropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
MOLECULAR FORMULA: C22H24ClFN4O3
MOLECULAR WEIGHT: 450.913503
SMILES: [2H][13C]([2H])([2H])OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
CAS RN: 1210608-88-0
CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid
OPENEYE Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid
IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
SYSTEMATIC NAME: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid
MOLECULAR FORMULA: C25H25N7O3
MOLECULAR WEIGHT: 477.467029
SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CN[13C]4=[13CH][13CH]=[13C]([13CH]=[13CH]4)C(=N)N
No comments:
Post a Comment