Product OPENEYE NAME: 4-amino-N-(6-methoxy-2-methyl-pyrimidin-4-yl)benzenesulfonamide
CAS Name: 4-amino-N-(6-methoxy-2-methyl-4-pyrimidinyl)benzenesulfonamide
IUPAC NAME: 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(6-methoxy-2-methyl-pyrimidin-4-yl)benzenesulfonamide
MOLECULAR FORMULA: C12H14N4O3S
MOLECULAR WEIGHT: 294.32956
SMILES: CC1=NC(=CC(=N1)OC)NS(=O)(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: 2,4,5-trichlorobenzenethiol
CAS Name: 2,4,5-trichlorobenzenethiol
IUPAC NAME: 2,4,5-trichlorobenzenethiol
SYSTEMATIC NAME: 2,4,5-tris(chloranyl)benzenethiol
MOLECULAR FORMULA: C6H3Cl3S
MOLECULAR WEIGHT: 213.51202
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)S
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Product OPENEYE NAME: 2-hydroxy-3-methyl-4H-1,4-benzoxazine-7,8-dione
CAS Name: 2-hydroxy-3-methyl-4H-1,4-benzoxazine-7,8-dione
IUPAC NAME: 2-hydroxy-3-methyl-4H-1,4-benzoxazine-7,8-dione
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-4H-1,4-benzoxazine-7,8-dione
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: CC1=C(OC2=C(N1)C=CC(=O)C2=O)O
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Product OPENEYE NAME: 4-hydroxy-N-sulfido-benzonitrilium
CAS Name: 4-hydroxy-N-sulfidobenzonitrilium
IUPAC NAME: 4-hydroxy-N-sulfidobenzonitrilium
SYSTEMATIC NAME: 4-oxidanyl-N-sulfanidyl-benzonitrilium
MOLECULAR FORMULA: C7H5NOS
MOLECULAR WEIGHT: 151.1857
SMILES: C1=CC(=CC=C1C#[N+][S-])O
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Product OPENEYE NAME: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 2-(tert-butylamino)ethyl ester
IUPAC NAME: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: CC(=C)C(=O)OCCNC(C)(C)C
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Product OPENEYE NAME: 2-pentylfuran
CAS Name: 2-pentylfuran
IUPAC NAME: 2-pentylfuran
SYSTEMATIC NAME: 2-pentylfuran
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CCCCCC1=CC=CO1
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Product OPENEYE NAME: 2-heptylfuran
CAS Name: 2-heptylfuran
IUPAC NAME: 2-heptylfuran
SYSTEMATIC NAME: 2-heptylfuran
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CCCCCCCC1=CC=CO1
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Product OPENEYE NAME: ethyl N-(phthalazin-1-ylamino)carbamate hydrochloride
CAS Name: N-(1-phthalazinylamino)carbamic acid ethyl ester hydrochloride
IUPAC NAME: ethyl N-(phthalazin-1-ylamino)carbamate hydrochloride
SYSTEMATIC NAME: ethyl N-(phthalazin-1-ylamino)carbamate hydrochloride
MOLECULAR FORMULA: C11H13ClN4O2
MOLECULAR WEIGHT: 268.69952
SMILES: CCOC(=O)NNC1=NN=CC2=CC=CC=C21.Cl
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Product OPENEYE NAME: 2-(2-phenylethylsulfanyl)ethanol
CAS Name: 2-(2-phenylethylthio)ethanol
IUPAC NAME: 2-(2-phenylethylsulfanyl)ethanol
SYSTEMATIC NAME: 2-(2-phenylethylsulfanyl)ethanol
MOLECULAR FORMULA: C10H14OS
MOLECULAR WEIGHT: 182.28256
SMILES: C1=CC=C(C=C1)CCSCCO
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Product OPENEYE NAME: 2-(2-chloro-4-nitro-phenyl)azopropanedinitrile
CAS Name: 2-(2-chloro-4-nitrophenyl)azopropanedinitrile
IUPAC NAME: 2-[(2-chloro-4-nitrophenyl)diazenyl]propanedinitrile
SYSTEMATIC NAME: 2-[(2-chloranyl-4-nitro-phenyl)diazenyl]propanedinitrile
MOLECULAR FORMULA: C9H4ClN5O2
MOLECULAR WEIGHT: 249.61336
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N=NC(C#N)C#N
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-[4-(1-piperidyl)-4-propanoyl-1-piperidyl]butan-1-one
CAS Name: 1-(4-fluorophenyl)-4-[4-(1-oxopropyl)-4-(1-piperidinyl)-1-piperidinyl]-1-butanone
IUPAC NAME: 1-(4-fluorophenyl)-4-(4-piperidin-1-yl-4-propanoylpiperidin-1-yl)butan-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-(4-piperidin-1-yl-4-propanoyl-piperidin-1-yl)butan-1-one
MOLECULAR FORMULA: C23H33FN2O2
MOLECULAR WEIGHT: 388.518723
SMILES: CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCCCC3
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Product OPENEYE NAME: ethyl 4-[(4-phenylphenyl)methyleneamino]benzoate
CAS Name: 4-[(4-phenylphenyl)methylideneamino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
SYSTEMATIC NAME: ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
MOLECULAR FORMULA: C22H19NO2
MOLECULAR WEIGHT: 329.39176
SMILES: CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate chloride
CAS Name: 2-hydroxy-2-phenylacetic acid (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride
IUPAC NAME: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate chloride
SYSTEMATIC NAME: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate chloride
MOLECULAR FORMULA: C24H28ClNO4
MOLECULAR WEIGHT: 429.93642
SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate
CAS Name: 2-hydroxy-2-phenylacetic acid (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester
IUPAC NAME: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C24H28NO4+
MOLECULAR WEIGHT: 394.48342
SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)vinyl]pyridin-1-ium iodide
CAS Name: 1-ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridin-1-ium iodide
IUPAC NAME: 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
SYSTEMATIC NAME: 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
MOLECULAR FORMULA: C31H36IN3
MOLECULAR WEIGHT: 577.54211
SMILES: CC[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)N3CCCC3)C=CC4=CC=C(C=C4)N5CCCC5.[I-]
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Product OPENEYE NAME: 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)vinyl]pyridin-1-ium
CAS Name: 1-ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridin-1-ium
IUPAC NAME: 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium
SYSTEMATIC NAME: 1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium
MOLECULAR FORMULA: C31H36N3+
MOLECULAR WEIGHT: 450.63764
SMILES: CC[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)N3CCCC3)C=CC4=CC=C(C=C4)N5CCCC5
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Product OPENEYE NAME: 4-methylbenzenesulfonate; 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-[10-[(1-methyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium
IUPAC NAME: 4-methylbenzenesulfonate; 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
SYSTEMATIC NAME: 4-methylbenzenesulfonate; 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
MOLECULAR FORMULA: C29H41N2O3S3+
MOLECULAR WEIGHT: 561.84244
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)SCCCCCCCCCCSC2=CC=[N+](C=C2)C
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Product OPENEYE NAME: 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
CAS Name: 1-methyl-4-[10-[(1-methyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium
IUPAC NAME: 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
SYSTEMATIC NAME: 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
MOLECULAR FORMULA: C22H34N2S2+2
MOLECULAR WEIGHT: 390.64876
SMILES: C[N+]1=CC=C(C=C1)SCCCCCCCCCCSC2=CC=[N+](C=C2)C
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