CAS RN: 6726-76-7
CAS Name: N'-[1-(4-hydroxyphenyl)prop-1-enyl]-4-nitrobenzohydrazide
OPENEYE Name: N'-[1-(4-hydroxyphenyl)prop-1-enyl]-4-nitro-benzohydrazide
IUPAC Name: N'-[1-(4-hydroxyphenyl)prop-1-enyl]-4-nitrobenzohydrazide
SYSTEMATIC NAME: N'-[1-(4-hydroxyphenyl)prop-1-enyl]-4-nitro-benzohydrazide
MOLECULAR FORMULA: C16H15N3O4
MOLECULAR WEIGHT: 313.308
SMILES: CC=C(C1=CC=C(C=C1)O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 6742-57-0
CAS Name: 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methyl-3-thieno[2,3-b]pyridin-7-iumamine
OPENEYE Name: 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methyl-thieno[2,3-b]pyridin-7-ium-3-amine
IUPAC Name: 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-3-amine
SYSTEMATIC NAME: 6-[bis(fluoranyl)methyl]-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-thieno[2,3-b]pyridin-7-ium-3-amine
MOLECULAR FORMULA: C17H12BrF2N4OS+
MOLECULAR WEIGHT: 438.269186
SMILES: CC1=CC(=[NH+]C2=C1C(=C(S2)C3=NN=C(O3)C4=CC=CC=C4Br)N)C(F)F
Structure:
CAS RN: 6742-56-9
CAS Name: [4-[[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-oxomethyl]amino]phenyl]sulfonyl-(2,4,6-trimethylphenyl)azanide
OPENEYE Name: [4-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]phenyl]sulfonyl-(2,4,6-trimethylphenyl)azanide
IUPAC Name: [4-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]phenyl]sulfonyl-(2,4,6-trimethylphenyl)azanide
SYSTEMATIC NAME: [4-[[7-[bis(fluoranyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonylamino]phenyl]sulfonyl-(2,4,6-trimethylphenyl)azanide
MOLECULAR FORMULA: C23H21F2N6O3S-
MOLECULAR WEIGHT: 499.513046
SMILES: CC1=CC(=C(C(=C1)C)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F)C
Structure:
CAS RN: 5382-54-7
CAS Name: 4-acetamido-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
OPENEYE Name: 4-acetamido-N-[(3-iodo-4-methoxy-phenyl)methyleneamino]benzamide
IUPAC Name: 4-acetamido-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-acetamido-N-[(3-iodanyl-4-methoxy-phenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C17H16IN3O3
MOLECULAR WEIGHT: 437.23171
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)I
Structure:
CAS RN: 6901-50-4
CAS Name: 4-cyano-5-[[3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-cyano-5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate
IUPAC Name: ethyl 4-cyano-5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-cyano-5-[3-(2-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C20H20N2O4S
MOLECULAR WEIGHT: 384.4488
SMILES: CCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N
Structure:
CAS RN: 85679-70-5
CAS Name: 2-[[[1-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid
OPENEYE Name: 2-[[1-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
IUPAC Name: 2-[[1-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[[1-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C30H39N5O7
MOLECULAR WEIGHT: 581.65996
SMILES: CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)N
Structure:
CAS RN: 5689-54-3
CAS Name: 4-[[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole
OPENEYE Name: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole
IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C23H24N4O3S
MOLECULAR WEIGHT: 436.52666
SMILES: CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC(=CC=C4)OC
Structure:
CAS RN: 5684-63-9
CAS Name: [2-(3-fluorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(5-methyl-1-phenyl-4-pyrazolyl)methanolate
OPENEYE Name: [2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate
IUPAC Name: [2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate
SYSTEMATIC NAME: [2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate
MOLECULAR FORMULA: C28H29FN4O4
MOLECULAR WEIGHT: 504.552663
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC[NH+]4CCOCC4)C5=CC(=CC=C5)F)[O-]
Structure:
CAS RN: 5684-02-6
CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-methylacetamide
OPENEYE Name: 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-acetamide
IUPAC Name: 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylacetamide
SYSTEMATIC NAME: 2-[[3-(4-chlorophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C19H18ClN3O2S2
MOLECULAR WEIGHT: 419.94812
SMILES: CNC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)Cl
Structure:
CAS RN: 6001-48-5
CAS Name: 2-[[butylamino(oxo)methyl]-cyclopropylamino]-N-(5-methyl-2-thiazolyl)acetamide
OPENEYE Name: 2-[butylcarbamoyl(cyclopropyl)amino]-N-(5-methylthiazol-2-yl)acetamide
IUPAC Name: 2-[butylcarbamoyl(cyclopropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[butylcarbamoyl(cyclopropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C14H22N4O2S
MOLECULAR WEIGHT: 310.41508
SMILES: CCCCNC(=O)N(CC(=O)NC1=NC=C(S1)C)C2CC2
Structure:
CAS RN: 6208-65-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H40Cl2N4O4
MOLECULAR WEIGHT: 603.5797
SMILES: CCC1CCCCN1CCN2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl)C(=O)NC6CCCCC6
Structure:
CAS RN: 6742-55-8
CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate
OPENEYE Name: 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylate
IUPAC Name: 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
SYSTEMATIC NAME: 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
MOLECULAR FORMULA: C18H13BrNO2-
MOLECULAR WEIGHT: 355.20532
SMILES: CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C
Structure:
CAS RN: 5675-07-0
CAS Name: 4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide
OPENEYE Name: 4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide
IUPAC Name: 4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C18H15Cl2F3N2O3S
MOLECULAR WEIGHT: 467.28951
SMILES: C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl
Structure:
CAS RN: 18764-68-6
CAS Name: 3-phenyl-1,1-di(propan-2-yl)thiourea
OPENEYE Name: 1,1-diisopropyl-3-phenyl-thiourea
IUPAC Name: 3-phenyl-1,1-di(propan-2-yl)thiourea
SYSTEMATIC NAME: 3-phenyl-1,1-di(propan-2-yl)thiourea
MOLECULAR FORMULA: C13H20N2S
MOLECULAR WEIGHT: 236.3763
SMILES: CC(C)N(C(C)C)C(=S)NC1=CC=CC=C1
Structure:
CAS RN: 4506-99-4
CAS Name: 4-[3-(5-nitro-2-furanyl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-[3-(5-nitro-2-furyl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C15H11N5O3S
MOLECULAR WEIGHT: 341.34454
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2N=CC=CC3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 6465-39-0
CAS Name: 5-(2-methoxy-1-naphthalenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-propyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(2-methoxy-1-naphthyl)-2-[(3-methoxyphenyl)methylene]-3-oxo-7-propyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: ethyl 5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C31H30N2O5S
MOLECULAR WEIGHT: 542.6453
SMILES: CCCC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC)SC2=N1)C4=C(C=CC5=CC=CC=C54)OC)C(=O)OCC
Structure:
CAS RN: 6721-84-2
CAS Name: 2-[[2-(N-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[2-(N-methylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate
IUPAC Name: propan-2-yl 2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate
MOLECULAR FORMULA: C18H20N2O3S
MOLECULAR WEIGHT: 344.428
SMILES: CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)N(C)C2=CC=CC=C2
Structure:
CAS RN: 6675-96-3
CAS Name: 7-oxotetracosanoic acid
OPENEYE Name: 7-oxotetracosanoic acid
IUPAC Name: 7-oxotetracosanoic acid
SYSTEMATIC NAME: 7-oxidanylidenetetracosanoic acid
MOLECULAR FORMULA: C24H46O3
MOLECULAR WEIGHT: 382.62024
SMILES: CCCCCCCCCCCCCCCCCC(=O)CCCCCC(=O)O
Structure:
CAS RN: 6675-35-0
CAS Name: N-butyl-2,6-dinitro-4-(trifluoromethyl)aniline
OPENEYE Name: N-butyl-2,6-dinitro-4-(trifluoromethyl)aniline
IUPAC Name: N-butyl-2,6-dinitro-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-butyl-2,6-dinitro-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C11H12F3N3O4
MOLECULAR WEIGHT: 307.22589
SMILES: CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 6670-44-6
CAS Name: 4,4-bis(carboxymethyl)-1-cyclohexanecarboxylic acid
OPENEYE Name: 4,4-bis(carboxymethyl)cyclohexanecarboxylic acid
IUPAC Name: 4,4-bis(carboxymethyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4,4-bis(2-hydroxy-2-oxoethyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C11H16O6
MOLECULAR WEIGHT: 244.24114
SMILES: C1CC(CCC1C(=O)O)(CC(=O)O)CC(=O)O
Structure:
CAS RN: 5329-18-0
CAS Name: 2-amino-1-octan-3-yl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
IUPAC Name: ethyl 2-amino-1-octan-3-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-1-octan-3-yl-pyrrolo[3,2-b]quinoxaline-3-carboxylate
MOLECULAR FORMULA: C21H28N4O2
MOLECULAR WEIGHT: 368.47262
SMILES: CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)N
Structure:
CAS RN: 5025-03-6
CAS Name: 4-[2-(2-ethoxyphenyl)-5-fluoro-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[2-(2-ethoxyphenyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-[2-(2-ethoxyphenyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
SYSTEMATIC NAME: 4-[2-(2-ethoxyphenyl)-5-fluoranyl-1H-indol-3-yl]butan-1-amine
MOLECULAR FORMULA: C20H23FN2O
MOLECULAR WEIGHT: 326.407823
SMILES: CCOC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)F)CCCCN
Structure:
CAS RN: 6660-39-5
CAS Name: 2-(4-chlorophenyl)sulfonylethanesulfonic acid phenyl ester
OPENEYE Name: phenyl 2-(4-chlorophenyl)sulfonylethanesulfonate
IUPAC Name: phenyl 2-(4-chlorophenyl)sulfonylethanesulfonate
SYSTEMATIC NAME: phenyl 2-(4-chlorophenyl)sulfonylethanesulfonate
MOLECULAR FORMULA: C14H13ClO5S2
MOLECULAR WEIGHT: 360.83302
SMILES: C1=CC=C(C=C1)OS(=O)(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 6193-81-3
CAS Name: 2-[4-(3,4-dichlorophenyl)-2-thiazolyl]-3-[2-(trifluoromethyl)anilino]-2-propenenitrile
OPENEYE Name: 2-[4-(3,4-dichlorophenyl)thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile
IUPAC Name: 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile
SYSTEMATIC NAME: 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[[2-(trifluoromethyl)phenyl]amino]prop-2-enenitrile
MOLECULAR FORMULA: C19H10Cl2F3N3S
MOLECULAR WEIGHT: 440.26901
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 6193-20-0
CAS Name: 2-bromo-N-(3-methyl-2-benzo[g][1,3]benzothiazolylidene)benzamide
OPENEYE Name: 2-bromo-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
IUPAC Name: 2-bromo-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 2-bromanyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C19H13BrN2OS
MOLECULAR WEIGHT: 397.28832
SMILES: CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=CC=C4Br
Structure:
CAS RN: 5668-86-0
CAS Name: 1-(1,3-dihydrobenzimidazol-2-ylideneammoniomethyl)-2-naphthalenolate
OPENEYE Name: 1-(1,3-dihydrobenzimidazol-2-ylideneammoniomethyl)naphthalen-2-olate
IUPAC Name: 1-(1,3-dihydrobenzimidazol-2-ylideneazaniumylmethyl)naphthalen-2-olate
SYSTEMATIC NAME: 1-(1,3-dihydrobenzimidazol-2-ylideneazaniumylmethyl)naphthalen-2-olate
MOLECULAR FORMULA: C18H15N3O
MOLECULAR WEIGHT: 289.3312
SMILES: C1=CC=C2C(=C1)C=CC(=C2C[NH+]=C3NC4=CC=CC=C4N3)[O-]
Structure:
CAS RN: 4855-12-3
CAS Name: 4-[hydroxy(phenyl)methylidene]-1-[3-(1-imidazolyl)propyl]-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 5-(4-allyloxyphenyl)-4-[hydroxy(phenyl)methylene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(3-imidazol-1-ylpropyl)-4-[oxidanyl(phenyl)methylidene]-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C26H25N3O4
MOLECULAR WEIGHT: 443.4944
SMILES: C=CCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4C=CN=C4
Structure:
CAS RN: 4745-77-1
CAS Name: [2-(2,4-difluoroanilino)-4-methyl-5H-thiazol-4-yl]methanol
OPENEYE Name: [2-(2,4-difluoroanilino)-4-methyl-5H-thiazol-4-yl]methanol
IUPAC Name: [2-(2,4-difluoroanilino)-4-methyl-5H-1,3-thiazol-4-yl]methanol
SYSTEMATIC NAME: [2-[[2,4-bis(fluoranyl)phenyl]amino]-4-methyl-5H-1,3-thiazol-4-yl]methanol
MOLECULAR FORMULA: C11H12F2N2OS
MOLECULAR WEIGHT: 258.287586
SMILES: CC1(CSC(=N1)NC2=C(C=C(C=C2)F)F)CO
Structure:
CAS RN: 5404-51-3
CAS Name: 2-[[4-(4-bromophenyl)-2-thiazolyl]thio]-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]acetamide
OPENEYE Name: 2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
IUPAC Name: 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide
MOLECULAR FORMULA: C24H25BrN4O2S2
MOLECULAR WEIGHT: 545.5149
SMILES: CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CS3)C4=CC=C(C=C4)Br
Structure:
CAS RN: 875-41-2
CAS Name: 5,6-diamino-1-methyl-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 5,6-diamino-1-methyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 5,6-diamino-1-methyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 5,6-bis(azanyl)-1-methyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C5H8N4OS
MOLECULAR WEIGHT: 172.20822
SMILES: CN1C(=C(C(=O)NC1=S)N)N
Structure:
CAS RN: 6259-57-0
CAS Name: 2-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
OPENEYE Name: 2-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
IUPAC Name: 2-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
SYSTEMATIC NAME: 2-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: COCC(=O)NCC1=CC2=C(C=C1)NC3=C2CCCC3
Structure:
CAS RN: 4877-25-2
CAS Name: 3-methyl-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-methyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C25H22N2O2S2
MOLECULAR WEIGHT: 446.58438
SMILES: CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=C2CCCC5
Structure:
CAS RN: 6024-35-7
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
OPENEYE Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-3,5-bis(trifluoromethyl)benzamide
IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
MOLECULAR FORMULA: C28H27F7N2O2S
MOLECULAR WEIGHT: 588.580002
SMILES: CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CC(C)C)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 6271-37-0
CAS Name: 4-(ethylthio)-2-(7H-purin-6-ylamino)butanoic acid
OPENEYE Name: 4-ethylsulfanyl-2-(7H-purin-6-ylamino)butanoic acid
IUPAC Name: 4-ethylsulfanyl-2-(7H-purin-6-ylamino)butanoic acid
SYSTEMATIC NAME: 4-ethylsulfanyl-2-(7H-purin-6-ylamino)butanoic acid
MOLECULAR FORMULA: C11H15N5O2S
MOLECULAR WEIGHT: 281.3341
SMILES: CCSCCC(C(=O)O)NC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 6189-52-2
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)-N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)benzamide
OPENEYE Name: 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-5-oxo-chromeno[4,3-b]pyridin-2-yl)benzamide
IUPAC Name: 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SYSTEMATIC NAME: 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-methyl-5-oxidanylidene-chromeno[4,3-b]pyridin-2-yl)benzamide
MOLECULAR FORMULA: C24H17N3O5
MOLECULAR WEIGHT: 427.40888
SMILES: CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)N5C(=O)CCC5=O
Structure:
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