CAS RN: 5726-96-5
CAS Name: 4-[2,4-bis(4-morpholinyl)-7-pyrimido[4,5-d]pyrimidinyl]morpholine
OPENEYE Name: 4-(2,4-dimorpholinopyrimido[4,5-d]pyrimidin-7-yl)morpholine
IUPAC Name: 4-(2,4-dimorpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
SYSTEMATIC NAME: 4-(2,4-dimorpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
MOLECULAR FORMULA: C18H25N7O3
MOLECULAR WEIGHT: 387.4362
SMILES: C1COCCN1C2=NC(=NC3=NC(=NC=C32)N4CCOCC4)N5CCOCC5
Structure:
CAS RN: 93004-55-8
CAS Name: 3-(3,5-dimethylcyclohexyl)-1,1-dimethylurea
OPENEYE Name: 3-(3,5-dimethylcyclohexyl)-1,1-dimethyl-urea
IUPAC Name: 3-(3,5-dimethylcyclohexyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(3,5-dimethylcyclohexyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C11H22N2O
MOLECULAR WEIGHT: 198.30518
SMILES: CC1CC(CC(C1)NC(=O)N(C)C)C
Structure:
CAS RN: 16379-18-3
CAS Name: N,N-diethylcarbamic acid cyclooctyl ester
OPENEYE Name: cyclooctyl N,N-diethylcarbamate
IUPAC Name: cyclooctyl N,N-diethylcarbamate
SYSTEMATIC NAME: cyclooctyl N,N-diethylcarbamate
MOLECULAR FORMULA: C13H25NO2
MOLECULAR WEIGHT: 227.3431
SMILES: CCN(CC)C(=O)OC1CCCCCCC1
Structure:
CAS RN: 61729-08-6
CAS Name: 5,5-bis(chloromethyl)-1,3-dioxane
OPENEYE Name: 5,5-bis(chloromethyl)-1,3-dioxane
IUPAC Name: 5,5-bis(chloromethyl)-1,3-dioxane
SYSTEMATIC NAME: 5,5-bis(chloromethyl)-1,3-dioxane
MOLECULAR FORMULA: C6H10Cl2O2
MOLECULAR WEIGHT: 185.0484
SMILES: C1C(COCO1)(CCl)CCl
Structure:
CAS RN: 41931-11-7
CAS Name: 4,5-dichloro-2-(3-chlorophenyl)-3-pyridazinone
OPENEYE Name: 4,5-dichloro-2-(3-chlorophenyl)pyridazin-3-one
IUPAC Name: 4,5-dichloro-2-(3-chlorophenyl)pyridazin-3-one
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-(3-chlorophenyl)pyridazin-3-one
MOLECULAR FORMULA: C10H5Cl3N2O
MOLECULAR WEIGHT: 275.5185
SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)C(=C(C=N2)Cl)Cl
Structure:
CAS RN: 91800-94-1
CAS Name: (2-bromo-1-cycloheptenyl)-(4-morpholinyl)methanone
OPENEYE Name: (2-bromocyclohepten-1-yl)-morpholino-methanone
IUPAC Name: (2-bromocyclohepten-1-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (2-bromanylcyclohepten-1-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C12H18BrNO2
MOLECULAR WEIGHT: 288.18082
SMILES: C1CCC(=C(CC1)Br)C(=O)N2CCOCC2
Structure:
CAS RN: 93308-78-2
CAS Name: (2-bromo-1-cycloheptenyl)-(1-piperidinyl)methanone
OPENEYE Name: (2-bromocyclohepten-1-yl)-(1-piperidyl)methanone
IUPAC Name: (2-bromocyclohepten-1-yl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (2-bromanylcyclohepten-1-yl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C13H20BrNO
MOLECULAR WEIGHT: 286.208
SMILES: C1CCC(=C(CC1)Br)C(=O)N2CCCCC2
Structure:
CAS RN: 70118-40-0
CAS Name: 2-amino-N-cyclohexyl-N-[(cyclohexylamino)-oxomethyl]acetamide
OPENEYE Name: 2-amino-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide
IUPAC Name: 2-amino-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-azanyl-N-cyclohexyl-N-(cyclohexylcarbamoyl)ethanamide
MOLECULAR FORMULA: C15H27N3O2
MOLECULAR WEIGHT: 281.39378
SMILES: C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CN
Structure:
CAS RN: 77391-08-3
CAS Name: 2-[4-(hydroxymethyl)phenoxy]propanoic acid
OPENEYE Name: 2-[4-(hydroxymethyl)phenoxy]propanoic acid
IUPAC Name: 2-[4-(hydroxymethyl)phenoxy]propanoic acid
SYSTEMATIC NAME: 2-[4-(hydroxymethyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC(C(=O)O)OC1=CC=C(C=C1)CO
Structure:
CAS RN: 91496-98-9
CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
OPENEYE Name: 2-indan-5-yloxypropanoic acid
IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC(C(=O)O)OC1=CC2=C(CCC2)C=C1
Structure:
CAS RN: 7692-57-1
CAS Name: 6-chloro-2-(methylthio)-1H-benzimidazole
OPENEYE Name: 6-chloro-2-methylsulfanyl-1H-benzimidazole
IUPAC Name: 6-chloro-2-methylsulfanyl-1H-benzimidazole
SYSTEMATIC NAME: 6-chloranyl-2-methylsulfanyl-1H-benzimidazole
MOLECULAR FORMULA: C8H7ClN2S
MOLECULAR WEIGHT: 198.67258
SMILES: CSC1=NC2=C(N1)C=C(C=C2)Cl
Structure:
CAS RN: 30062-44-3
CAS Name: 5-(prop-2-enylthio)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-allylsulfanyl-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C5H7N3S2
MOLECULAR WEIGHT: 173.25918
SMILES: C=CCSC1=NN=C(S1)N
Structure:
CAS RN: 32418-25-0
CAS Name: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
IUPAC Name: ethyl 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C8H11N3O3S2
MOLECULAR WEIGHT: 261.32124
SMILES: CCOC(=O)CSC1=NN=C(S1)NC(=O)C
Structure:
CAS RN: 32418-24-9
CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
IUPAC Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C6H9N3O2S2
MOLECULAR WEIGHT: 219.28456
SMILES: CCOC(=O)CSC1=NN=C(S1)N
Structure:
CAS RN: 54505-28-1
CAS Name: 4-[[[1-(4-morpholinylmethyl)-4,5-dihydroimidazol-2-yl]thio]methyl]morpholine
OPENEYE Name: 4-[[1-(morpholinomethyl)-4,5-dihydroimidazol-2-yl]sulfanylmethyl]morpholine
IUPAC Name: 4-[[1-(morpholin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]sulfanylmethyl]morpholine
SYSTEMATIC NAME: 4-[[1-(morpholin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]sulfanylmethyl]morpholine
MOLECULAR FORMULA: C13H24N4O2S
MOLECULAR WEIGHT: 300.42026
SMILES: C1CN(C(=N1)SCN2CCOCC2)CN3CCOCC3
Structure:
CAS RN: 22876-29-5
CAS Name: carbonic acid ethyl (2,4,5-trichlorophenyl) ester
OPENEYE Name: ethyl (2,4,5-trichlorophenyl) carbonate
IUPAC Name: ethyl (2,4,5-trichlorophenyl) carbonate
SYSTEMATIC NAME: ethyl [2,4,5-tris(chloranyl)phenyl] carbonate
MOLECULAR FORMULA: C9H7Cl3O3
MOLECULAR WEIGHT: 269.50908
SMILES: CCOC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 972-48-5
CAS Name: 1-(4-methoxyphenyl)sulfonyl-2,4-dinitrobenzene
OPENEYE Name: 1-(4-methoxyphenyl)sulfonyl-2,4-dinitro-benzene
IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(4-methoxyphenyl)sulfonyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C13H10N2O7S
MOLECULAR WEIGHT: 338.2927
SMILES: COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1871-44-9
CAS Name: 1-[(4-methoxyphenyl)thio]-2,4-dinitrobenzene
OPENEYE Name: 1-(4-methoxyphenyl)sulfanyl-2,4-dinitro-benzene
IUPAC Name: 1-(4-methoxyphenyl)sulfanyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(4-methoxyphenyl)sulfanyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C13H10N2O5S
MOLECULAR WEIGHT: 306.2939
SMILES: COC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1024-51-7
CAS Name: 1-(dichloromethylsulfonyl)-2,4-dinitrobenzene
OPENEYE Name: 1-(dichloromethylsulfonyl)-2,4-dinitro-benzene
IUPAC Name: 1-(dichloromethylsulfonyl)-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-[bis(chloranyl)methylsulfonyl]-2,4-dinitro-benzene
MOLECULAR FORMULA: C7H4Cl2N2O6S
MOLECULAR WEIGHT: 315.08746
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C(Cl)Cl
Structure:
CAS RN: 70757-66-3
CAS Name: 2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
OPENEYE Name: 2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propanoic acid
IUPAC Name: 2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
SYSTEMATIC NAME: 2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CC(C(=O)O)OC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2
Structure:
CAS RN: 38583-51-6
CAS Name: N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]acetamide
OPENEYE Name: N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC Name: N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C5H7N3OS2
MOLECULAR WEIGHT: 189.25858
SMILES: CC(=O)NC1=NN=C(S1)SC
Structure:
CAS RN: 84460-95-7
CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide
OPENEYE Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C6H9N3OS2
MOLECULAR WEIGHT: 203.28516
SMILES: CCSC1=NN=C(S1)NC(=O)C
Structure:
CAS RN: 72836-11-4
CAS Name: 5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C9H8N4O2S2
MOLECULAR WEIGHT: 268.31542
SMILES: C1=CC(=CC=C1CSC2=NN=C(S2)N)[N+](=O)[O-]
Structure:
CAS RN: 72836-33-0
CAS Name: 5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C9H8ClN3S2
MOLECULAR WEIGHT: 257.76292
SMILES: C1=CC(=CC=C1CSC2=NN=C(S2)N)Cl
Structure:
CAS RN: 93903-48-1
CAS Name: 2-(4-phenylphenoxy)propanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-(4-phenylphenoxy)propanoate
IUPAC Name: propan-2-yl 2-(4-phenylphenoxy)propanoate
SYSTEMATIC NAME: propan-2-yl 2-(4-phenylphenoxy)propanoate
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CC(C)OC(=O)C(C)OC1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 53607-76-4
CAS Name: 3-bromo-1,1,1-trichloro-2-methoxy-3-nitropropane
OPENEYE Name: 3-bromo-1,1,1-trichloro-2-methoxy-3-nitro-propane
IUPAC Name: 3-bromo-1,1,1-trichloro-2-methoxy-3-nitropropane
SYSTEMATIC NAME: 3-bromanyl-1,1,1-tris(chloranyl)-2-methoxy-3-nitro-propane
MOLECULAR FORMULA: C4H5BrCl3NO3
MOLECULAR WEIGHT: 301.3504
SMILES: COC(C([N+](=O)[O-])Br)C(Cl)(Cl)Cl
Structure:
CAS RN: 69558-82-3
CAS Name: N1,N1-diethyl-N4-methylpentane-1,4-diamine
OPENEYE Name: N1,N1-diethyl-N4-methyl-pentane-1,4-diamine
IUPAC Name: 1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine
SYSTEMATIC NAME: N1,N1-diethyl-N4-methyl-pentane-1,4-diamine
MOLECULAR FORMULA: C10H24N2
MOLECULAR WEIGHT: 172.31096
SMILES: CCN(CC)CCCC(C)NC
Structure:
CAS RN: 15509-51-0
CAS Name: 1-bromo-1-nitro-2-octanol
OPENEYE Name: 1-bromo-1-nitro-octan-2-ol
IUPAC Name: 1-bromo-1-nitrooctan-2-ol
SYSTEMATIC NAME: 1-bromanyl-1-nitro-octan-2-ol
MOLECULAR FORMULA: C8H16BrNO3
MOLECULAR WEIGHT: 254.12154
SMILES: CCCCCCC(C([N+](=O)[O-])Br)O
Structure:
CAS RN: 1222-74-8
CAS Name: 2-methyl-2-(4-phenylphenoxy)propanoic acid
OPENEYE Name: 2-methyl-2-(4-phenylphenoxy)propanoic acid
IUPAC Name: 2-methyl-2-(4-phenylphenoxy)propanoic acid
SYSTEMATIC NAME: 2-methyl-2-(4-phenylphenoxy)propanoic acid
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 66227-51-8
CAS Name: 1,8-dichloro-4,5-dihydroxyanthracene-9,10-dione
OPENEYE Name: 1,8-dichloro-4,5-dihydroxy-anthracene-9,10-dione
IUPAC Name: 1,8-dichloro-4,5-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis(chloranyl)-4,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H6Cl2O4
MOLECULAR WEIGHT: 309.10104
SMILES: C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)Cl)O)Cl
Structure:
CAS RN: 78014-31-0
CAS Name: 2-(2-propan-2-ylphenoxy)ethanol
OPENEYE Name: 2-(2-isopropylphenoxy)ethanol
IUPAC Name: 2-(2-propan-2-ylphenoxy)ethanol
SYSTEMATIC NAME: 2-(2-propan-2-ylphenoxy)ethanol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)C1=CC=CC=C1OCCO
Structure:
CAS RN: 94385-39-4
CAS Name: 2-(4-phenylphenoxy)propanoic acid butyl ester
OPENEYE Name: butyl 2-(4-phenylphenoxy)propanoate
IUPAC Name: butyl 2-(4-phenylphenoxy)propanoate
SYSTEMATIC NAME: butyl 2-(4-phenylphenoxy)propanoate
MOLECULAR FORMULA: C19H22O3
MOLECULAR WEIGHT: 298.37618
SMILES: CCCCOC(=O)C(C)OC1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 93903-49-2
CAS Name: 2-(4-phenylphenoxy)propanoic acid propyl ester
OPENEYE Name: propyl 2-(4-phenylphenoxy)propanoate
IUPAC Name: propyl 2-(4-phenylphenoxy)propanoate
SYSTEMATIC NAME: propyl 2-(4-phenylphenoxy)propanoate
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CCCOC(=O)C(C)OC1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 93434-64-1
CAS Name: 2-(4-phenylphenoxy)propanoic acid methyl ester
OPENEYE Name: methyl 2-(4-phenylphenoxy)propanoate
IUPAC Name: methyl 2-(4-phenylphenoxy)propanoate
SYSTEMATIC NAME: methyl 2-(4-phenylphenoxy)propanoate
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC(C(=O)OC)OC1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 72000-67-0
CAS Name: 3-bromo-1-phenylpyrrole-2,5-dione
OPENEYE Name: 3-bromo-1-phenyl-pyrrole-2,5-dione
IUPAC Name: 3-bromo-1-phenylpyrrole-2,5-dione
SYSTEMATIC NAME: 3-bromanyl-1-phenyl-pyrrole-2,5-dione
MOLECULAR FORMULA: C10H6BrNO2
MOLECULAR WEIGHT: 252.06414
SMILES: C1=CC=C(C=C1)N2C(=O)C=C(C2=O)Br
Structure:
CAS RN: 83466-37-9
CAS Name: 1-ethyl-4-propan-2-yloxybenzene
OPENEYE Name: 1-ethyl-4-isopropoxy-benzene
IUPAC Name: 1-ethyl-4-propan-2-yloxybenzene
SYSTEMATIC NAME: 1-ethyl-4-propan-2-yloxy-benzene
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCC1=CC=C(C=C1)OC(C)C
Structure:
CAS RN: 93570-95-7
CAS Name: 2-(4-butan-2-yl-3-methylphenoxy)propanoic acid
OPENEYE Name: 2-(3-methyl-4-sec-butyl-phenoxy)propanoic acid
IUPAC Name: 2-(4-butan-2-yl-3-methylphenoxy)propanoic acid
SYSTEMATIC NAME: 2-(4-butan-2-yl-3-methyl-phenoxy)propanoic acid
MOLECULAR FORMULA: C14H20O3
MOLECULAR WEIGHT: 236.3068
SMILES: CCC(C)C1=C(C=C(C=C1)OC(C)C(=O)O)C
Structure:
CAS RN: 10539-14-7
CAS Name: 2-amino-4,6-dibromophenol
OPENEYE Name: 2-amino-4,6-dibromo-phenol
IUPAC Name: 2-amino-4,6-dibromophenol
SYSTEMATIC NAME: 2-azanyl-4,6-bis(bromanyl)phenol
MOLECULAR FORMULA: C6H5Br2NO
MOLECULAR WEIGHT: 266.918
SMILES: C1=C(C=C(C(=C1Br)O)N)Br
Structure:
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