CAS RN: 60723-72-0
CAS Name: 2-[2-(4-methylphenyl)-1,3-benzoxazol-7-yl]propanoic acid
OPENEYE Name: 2-[2-(p-tolyl)-1,3-benzoxazol-7-yl]propanoic acid
IUPAC Name: 2-[2-(4-methylphenyl)-1,3-benzoxazol-7-yl]propanoic acid
SYSTEMATIC NAME: 2-[2-(4-methylphenyl)-1,3-benzoxazol-7-yl]propanoic acid
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC(=C3O2)C(C)C(=O)O
Structure:
CAS RN: 60723-70-8
CAS Name: (5Z)-5-[1-(2-phenyl-1,3-benzoxazol-4-yl)ethylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5Z)-5-[1-(2-phenyl-1,3-benzoxazol-4-yl)ethylidene]-2-thioxo-thiazolidin-4-one
IUPAC Name: (5Z)-5-[1-(2-phenyl-1,3-benzoxazol-4-yl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[1-(2-phenyl-1,3-benzoxazol-4-yl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C18H12N2O2S2
MOLECULAR WEIGHT: 352.43008
SMILES: C/C(=C/1\C(=O)NC(=S)S1)/C2=C3C(=CC=C2)OC(=N3)C4=CC=CC=C4
Structure:
CAS RN: 60723-51-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29IN2O4
MOLECULAR WEIGHT: 536.40253
SMILES: C[N+]12CCC34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N(C(=O)C[C@@H]6OCC=C5C2)C7=CC(=C(C=C47)OC)OC.[I-]
Structure:
CAS RN: 60722-31-8
CAS Name: 4-[[2-(3,6-diacetyloxy-2-benzofuranyl)-1-oxoethyl]amino]-2-hydroxybenzoic acid
OPENEYE Name: 4-[[2-(3,6-diacetoxybenzofuran-2-yl)acetyl]amino]-2-hydroxy-benzoic acid
IUPAC Name: 4-[[2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetyl]amino]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-[2-(3,6-diacetyloxy-1-benzofuran-2-yl)ethanoylamino]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C21H17NO9
MOLECULAR WEIGHT: 427.36098
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)NC3=CC(=C(C=C3)C(=O)O)O)OC(=O)C
Structure:
CAS RN: 60708-65-8
CAS Name: 3-(4-bromophenyl)-2-imino-4-thiazolidinone
OPENEYE Name: 3-(4-bromophenyl)-2-imino-thiazolidin-4-one
IUPAC Name: 3-(4-bromophenyl)-2-imino-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 2-azanylidene-3-(4-bromophenyl)-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C9H7BrN2OS
MOLECULAR WEIGHT: 271.13368
SMILES: C1C(=O)N(C(=N)S1)C2=CC=C(C=C2)Br
Structure:
CAS RN: 60706-43-6
CAS Name: 10-[2-(4-methyl-1-piperazinyl)ethyl]phenothiazine
OPENEYE Name: 10-[2-(4-methylpiperazin-1-yl)ethyl]phenothiazine
IUPAC Name: 10-[2-(4-methylpiperazin-1-yl)ethyl]phenothiazine
SYSTEMATIC NAME: 10-[2-(4-methylpiperazin-1-yl)ethyl]phenothiazine
MOLECULAR FORMULA: C19H23N3S
MOLECULAR WEIGHT: 325.47102
SMILES: CN1CCN(CC1)CCN2C3=CC=CC=C3SC4=CC=CC=C42
Structure:
CAS RN: 60706-23-2
CAS Name: trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ammonium iodide
OPENEYE Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-trimethyl-ammonium iodide
IUPAC Name: trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]azanium iodide
MOLECULAR FORMULA: C13H28IN
MOLECULAR WEIGHT: 325.27259
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)[N+](C)(C)C)C(C)C.[I-]
Structure:
CAS RN: 60704-01-0
CAS Name: 6-chloro-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
OPENEYE Name: 6-chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine; N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline
IUPAC Name: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine; 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
SYSTEMATIC NAME: 6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline
MOLECULAR FORMULA: C21H33ClN8O4
MOLECULAR WEIGHT: 496.99092
SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CCNC1=NC(=NC(=N1)Cl)NC(C)C
Structure:
CAS RN: 60702-20-7
CAS Name: 1-methoxy-4-[1-(phenylthio)hexyl]benzene
OPENEYE Name: 1-methoxy-4-(1-phenylsulfanylhexyl)benzene
IUPAC Name: 1-methoxy-4-(1-phenylsulfanylhexyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(1-phenylsulfanylhexyl)benzene
MOLECULAR FORMULA: C19H24OS
MOLECULAR WEIGHT: 300.45826
SMILES: CCCCCC(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
Structure:
CAS RN: 60702-17-2
CAS Name: 1-methoxy-4-[1-(phenylthio)butyl]benzene
OPENEYE Name: 1-methoxy-4-(1-phenylsulfanylbutyl)benzene
IUPAC Name: 1-methoxy-4-(1-phenylsulfanylbutyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(1-phenylsulfanylbutyl)benzene
MOLECULAR FORMULA: C17H20OS
MOLECULAR WEIGHT: 272.4051
SMILES: CCCC(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
Structure:
CAS RN: 60702-16-1
CAS Name: 1-methoxy-4-[2-methyl-1-(phenylthio)propyl]benzene
OPENEYE Name: 1-methoxy-4-(2-methyl-1-phenylsulfanyl-propyl)benzene
IUPAC Name: 1-methoxy-4-(2-methyl-1-phenylsulfanylpropyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(2-methyl-1-phenylsulfanyl-propyl)benzene
MOLECULAR FORMULA: C17H20OS
MOLECULAR WEIGHT: 272.4051
SMILES: CC(C)C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
Structure:
CAS RN: 60702-15-0
CAS Name: 1-methoxy-4-[1-[(4-methylphenyl)thio]butyl]benzene
OPENEYE Name: 1-methoxy-4-[1-(p-tolylsulfanyl)butyl]benzene
IUPAC Name: 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
MOLECULAR FORMULA: C18H22OS
MOLECULAR WEIGHT: 286.43168
SMILES: CCCC(C1=CC=C(C=C1)OC)SC2=CC=C(C=C2)C
Structure:
CAS RN: 60702-14-9
CAS Name: 1-methoxy-4-[1-(phenylthio)propyl]benzene
OPENEYE Name: 1-methoxy-4-(1-phenylsulfanylpropyl)benzene
IUPAC Name: 1-methoxy-4-(1-phenylsulfanylpropyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(1-phenylsulfanylpropyl)benzene
MOLECULAR FORMULA: C16H18OS
MOLECULAR WEIGHT: 258.37852
SMILES: CCC(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
Structure:
CAS RN: 60702-13-8
CAS Name: 1-methoxy-4-[1-(phenylthio)ethyl]benzene
OPENEYE Name: 1-methoxy-4-(1-phenylsulfanylethyl)benzene
IUPAC Name: 1-methoxy-4-(1-phenylsulfanylethyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(1-phenylsulfanylethyl)benzene
MOLECULAR FORMULA: C15H16OS
MOLECULAR WEIGHT: 244.35194
SMILES: CC(C1=CC=C(C=C1)OC)SC2=CC=CC=C2
Structure:
CAS RN: 60698-05-7
CAS Name: 3-(dithiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octane
OPENEYE Name: 3-[bis(2-thienyl)methylene]quinuclidine
IUPAC Name: 3-(dithiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 3-(dithiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C16H17NS2
MOLECULAR WEIGHT: 287.44288
SMILES: C1CN2CCC1C(=C(C3=CC=CS3)C4=CC=CS4)C2
Structure:
CAS RN: 60698-03-5
CAS Name: 5-(1-azabicyclo[2.2.2]octan-3-yl)-5-nonanol hydrochloride
OPENEYE Name: 5-quinuclidin-3-ylnonan-5-ol hydrochloride
IUPAC Name: 5-(1-azabicyclo[2.2.2]octan-3-yl)nonan-5-ol hydrochloride
SYSTEMATIC NAME: 5-(1-azabicyclo[2.2.2]octan-3-yl)nonan-5-ol hydrochloride
MOLECULAR FORMULA: C16H32ClNO
MOLECULAR WEIGHT: 289.88438
SMILES: CCCCC(CCCC)(C1CN2CCC1CC2)O.Cl
Structure:
CAS RN: 60697-82-7
CAS Name: 1-azabicyclo[2.2.2]octan-3-yl-(2-chlorophenyl)-phenylmethanol
OPENEYE Name: (2-chlorophenyl)-phenyl-quinuclidin-3-yl-methanol
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl-(2-chlorophenyl)-phenylmethanol
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl-(2-chlorophenyl)-phenyl-methanol
MOLECULAR FORMULA: C20H22ClNO
MOLECULAR WEIGHT: 327.84778
SMILES: C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4Cl)O
Structure:
CAS RN: 60697-80-5
CAS Name: 1-azabicyclo[2.2.2]octan-3-yl-(2-methylphenyl)-phenylmethanol
OPENEYE Name: o-tolyl-phenyl-quinuclidin-3-yl-methanol
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl-(2-methylphenyl)-phenylmethanol
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl-(2-methylphenyl)-phenyl-methanol
MOLECULAR FORMULA: C21H25NO
MOLECULAR WEIGHT: 307.4293
SMILES: CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4)O
Structure:
CAS RN: 60689-64-7
CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazolidinyl]ethyl dihydrogen phosphate
OPENEYE Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazolidin-5-yl]ethyl dihydrogen phosphate
IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethyl dihydrogen phosphate
SYSTEMATIC NAME: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethyl dihydrogen phosphate
MOLECULAR FORMULA: C12H21N4O4PS
MOLECULAR WEIGHT: 348.358301
SMILES: CC1C(SCN1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O
Structure:
CAS RN: 60683-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H36N2O7
MOLECULAR WEIGHT: 596.66954
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O
Structure:
CAS RN: 60683-22-9
CAS Name: N1,N1'-bis(2,4,6-tribromophenyl)cyclobutane-1,1-dicarboxamide
OPENEYE Name: N1,N1'-bis(2,4,6-tribromophenyl)cyclobutane-1,1-dicarboxamide
IUPAC Name: 1-N,1-N'-bis(2,4,6-tribromophenyl)cyclobutane-1,1-dicarboxamide
SYSTEMATIC NAME: N1,N1'-bis[2,4,6-tris(bromanyl)phenyl]cyclobutane-1,1-dicarboxamide
MOLECULAR FORMULA: C18H12Br6N2O2
MOLECULAR WEIGHT: 767.72408
SMILES: C1CC(C1)(C(=O)NC2=C(C=C(C=C2Br)Br)Br)C(=O)NC3=C(C=C(C=C3Br)Br)Br
Structure:
CAS RN: 60683-21-8
CAS Name: N1,N1'-bis(3,4,5-trichlorophenyl)cyclobutane-1,1-dicarboxamide
OPENEYE Name: N1,N1'-bis(3,4,5-trichlorophenyl)cyclobutane-1,1-dicarboxamide
IUPAC Name: 1-N,1-N'-bis(3,4,5-trichlorophenyl)cyclobutane-1,1-dicarboxamide
SYSTEMATIC NAME: N1,N1'-bis[3,4,5-tris(chloranyl)phenyl]cyclobutane-1,1-dicarboxamide
MOLECULAR FORMULA: C18H12Cl6N2O2
MOLECULAR WEIGHT: 501.01808
SMILES: C1CC(C1)(C(=O)NC2=CC(=C(C(=C2)Cl)Cl)Cl)C(=O)NC3=CC(=C(C(=C3)Cl)Cl)Cl
Structure:
CAS RN: 60676-90-6
CAS Name: 1-hydroxy-1-oxo-2-propanolate; zirconium(4+)
OPENEYE Name: 1-hydroxy-1-oxo-propan-2-olate; zirconium(4+)
IUPAC Name: 1-hydroxy-1-oxopropan-2-olate; zirconium(4+)
SYSTEMATIC NAME: 1-oxidanyl-1-oxidanylidene-propan-2-olate; zirconium(4+)
MOLECULAR FORMULA: C12H20O12Zr
MOLECULAR WEIGHT: 447.504
SMILES: CC(C(=O)O)[O-].CC(C(=O)O)[O-].CC(C(=O)O)[O-].CC(C(=O)O)[O-].[Zr+4]
Structure:
CAS RN: 60663-35-6
CAS Name: ammonia; chromium(3+); guanidine; hydron; tetrathiocyanate
OPENEYE Name: chromic; ammonia; guanidine; hydron; tetrathiocyanate
IUPAC Name: azane; chromium(3+); guanidine; hydron; tetrathiocyanate
SYSTEMATIC NAME: azane; chromium(3+); guanidine; hydron; tetrathiocyanate
MOLECULAR FORMULA: C5H12CrN9S4
MOLECULAR WEIGHT: 378.46518
SMILES: [H+].C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].C(=N)(N)N.N.N.[Cr+3]
Structure:
CAS RN: 60662-77-3
CAS Name: N,N-diethyl-2-[4-(2-phenylethyl)phenoxy]ethanamine
OPENEYE Name: N,N-diethyl-2-[4-(2-phenylethyl)phenoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[4-(2-phenylethyl)phenoxy]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[4-(2-phenylethyl)phenoxy]ethanamine
MOLECULAR FORMULA: C20H27NO
MOLECULAR WEIGHT: 297.43448
SMILES: CCN(CC)CCOC1=CC=C(C=C1)CCC2=CC=CC=C2
Structure:
CAS RN: 134865-33-1
CAS Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol
OPENEYE Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-3-chloro-phenol
IUPAC Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol
SYSTEMATIC NAME: 4-[(1R)-2-(tert-butylamino)-1-oxidanyl-ethyl]-3-chloranyl-phenol
MOLECULAR FORMULA: C12H18ClNO2
MOLECULAR WEIGHT: 243.72982
SMILES: CC(C)(C)NC[C@@H](C1=C(C=C(C=C1)O)Cl)O
Structure:
CAS RN: 87611-28-7
CAS Name: 6-ethyl-9-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-ethyl-9-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
IUPAC Name: ethyl 6-ethyl-9-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SYSTEMATIC NAME: ethyl 6-ethyl-9-methyl-5-oxidanylidene-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
MOLECULAR FORMULA: C15H16N4O3
MOLECULAR WEIGHT: 300.31254
SMILES: CCN1C2=C(C=C(C=C2)C)C3=NC(=NN3C1=O)C(=O)OCC
Structure:
CAS RN: 61389-09-1
CAS Name: ammonium 4-[(2-bromo-1-oxoethyl)amino]benzenesulfonate
OPENEYE Name: ammonium 4-[(2-bromoacetyl)amino]benzenesulfonate
IUPAC Name: azanium 4-[(2-bromoacetyl)amino]benzenesulfonate
SYSTEMATIC NAME: azanium 4-(2-bromanylethanoylamino)benzenesulfonate
MOLECULAR FORMULA: C8H11BrN2O4S
MOLECULAR WEIGHT: 311.15294
SMILES: C1=CC(=CC=C1NC(=O)CBr)S(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 61389-10-4
CAS Name: 2-[acetyl(bromo)amino]benzene-1,3-dicarboxylic acid
OPENEYE Name: 2-[acetyl(bromo)amino]benzene-1,3-dicarboxylic acid
IUPAC Name: 2-[acetyl(bromo)amino]benzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 2-[bromanyl(ethanoyl)amino]benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C10H8BrNO5
MOLECULAR WEIGHT: 302.07822
SMILES: CC(=O)N(C1=C(C=CC=C1C(=O)O)C(=O)O)Br
Structure:
CAS RN: 1935-28-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38N2O8
MOLECULAR WEIGHT: 578.65272
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)COC6=CC=C(C=C6)OC
Structure:
CAS RN: 3735-85-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38N2O8
MOLECULAR WEIGHT: 578.65272
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)COC6=CC=C(C=C6)OC
Structure:
CAS RN: 485319-96-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38N2O8
MOLECULAR WEIGHT: 578.65272
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)COC6=CC=C(C=C6)OC
Structure:
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