Product OPENEYE NAME: 5,6-dihydroxy-5-methyl-hexahydropyrimidine-2,4-dione
CAS Name: 5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
IUPAC NAME: 5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-methyl-5,6-bis(oxidanyl)-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C5H8N2O4
MOLECULAR WEIGHT: 160.12802
SMILES: CC1(C(NC(=O)NC1=O)O)O
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Product OPENEYE NAME: 4-[2-(ethylamino)-1-hydroxy-ethyl]benzene-1,2-diol
CAS Name: 4-[2-(ethylamino)-1-hydroxyethyl]benzene-1,2-diol
IUPAC NAME: 4-[2-(ethylamino)-1-hydroxyethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-(ethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CCNCC(C1=CC(=C(C=C1)O)O)O
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Product OPENEYE NAME: 2-[4-(1-hydroxy-1-methyl-ethyl)phenyl]propan-2-ol
CAS Name: 2-[4-(2-hydroxypropan-2-yl)phenyl]-2-propanol
IUPAC NAME: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SYSTEMATIC NAME: 2-[4-(2-oxidanylpropan-2-yl)phenyl]propan-2-ol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)O)O
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Product OPENEYE NAME: tetraisopropylstannane
CAS Name: tetra(propan-2-yl)stannane
IUPAC NAME: tetra(propan-2-yl)stannane
SYSTEMATIC NAME: tetra(propan-2-yl)stannane
MOLECULAR FORMULA: C12H28Sn
MOLECULAR WEIGHT: 291.06072
SMILES: CC(C)[Sn](C(C)C)(C(C)C)C(C)C
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Product OPENEYE NAME: methylsulfonylsulfanylmethane
CAS Name: (methylsulfonylthio)methane
IUPAC NAME: methylsulfonylsulfanylmethane
SYSTEMATIC NAME: methylsulfonylsulfanylmethane
MOLECULAR FORMULA: C2H6O2S2
MOLECULAR WEIGHT: 126.19784
SMILES: CSS(=O)(=O)C
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Product OPENEYE NAME: dimethoxy-methylsulfanyl-thioxo-$l^{5}-phosphane
CAS Name: dimethoxy-(methylthio)-sulfanylidenephosphorane
IUPAC NAME: dimethoxy-methylsulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-methylsulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C3H9O2PS2
MOLECULAR WEIGHT: 172.206121
SMILES: COP(=S)(OC)SC
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Product OPENEYE NAME: tetralin-1-amine
CAS Name: 1,2,3,4-tetrahydronaphthalen-1-amine
IUPAC NAME: 1,2,3,4-tetrahydronaphthalen-1-amine
SYSTEMATIC NAME: 1,2,3,4-tetrahydronaphthalen-1-amine
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: C1CC(C2=CC=CC=C2C1)N
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Product OPENEYE NAME: icosan-3-one
CAS Name: 3-eicosanone
IUPAC NAME: icosan-3-one
SYSTEMATIC NAME: icosan-3-one
MOLECULAR FORMULA: C20H40O
MOLECULAR WEIGHT: 296.531
SMILES: CCCCCCCCCCCCCCCCCC(=O)CC
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C15H24N2O17P2
MOLECULAR WEIGHT: 566.301782
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
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Product OPENEYE NAME: (2-amino-5-chloro-phenyl)-(2-chlorophenyl)methanone
CAS Name: (2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
IUPAC NAME: (2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
SYSTEMATIC NAME: (2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methanone
MOLECULAR FORMULA: C13H9Cl2NO
MOLECULAR WEIGHT: 266.12266
SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)Cl
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Product OPENEYE NAME: 2,3,6-trichloroquinoxaline
CAS Name: 2,3,6-trichloroquinoxaline
IUPAC NAME: 2,3,6-trichloroquinoxaline
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)quinoxaline
MOLECULAR FORMULA: C8H3Cl3N2
MOLECULAR WEIGHT: 233.48182
SMILES: C1=CC2=C(C=C1Cl)N=C(C(=N2)Cl)Cl
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Product OPENEYE NAME: (2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid (2-iodo-7-oxo-1-cyclohepta-1,3,5-trienyl) ester
IUPAC NAME: (2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate
SYSTEMATIC NAME: (2-iodanyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate
MOLECULAR FORMULA: C14H8INO5
MOLECULAR WEIGHT: 397.12149
SMILES: C1=CC(=C(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I
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Product OPENEYE NAME: trimethyl(2-pentanoyloxyethyl)ammonium iodide
CAS Name: trimethyl-[2-(1-oxopentoxy)ethyl]ammonium iodide
IUPAC NAME: trimethyl(2-pentanoyloxyethyl)azanium iodide
SYSTEMATIC NAME: trimethyl(2-pentanoyloxyethyl)azanium iodide
MOLECULAR FORMULA: C10H22INO2
MOLECULAR WEIGHT: 315.19165
SMILES: CCCCC(=O)OCC[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl(2-pentanoyloxyethyl)ammonium
CAS Name: trimethyl-[2-(1-oxopentoxy)ethyl]ammonium
IUPAC NAME: trimethyl(2-pentanoyloxyethyl)azanium
SYSTEMATIC NAME: trimethyl(2-pentanoyloxyethyl)azanium
MOLECULAR FORMULA: C10H22NO2+
MOLECULAR WEIGHT: 188.28718
SMILES: CCCCC(=O)OCC[N+](C)(C)C
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Product OPENEYE NAME: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethyl-ammonium; oxalate
CAS Name: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethylammonium; oxalate
IUPAC NAME: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethylazanium; oxalate
SYSTEMATIC NAME: dimethyl-[2-(5-oxidanyl-1H-indol-1-ium-3-yl)ethyl]azanium; ethanedioate
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: C[NH+](C)CCC1=C[NH2+]C2=C1C=C(C=C2)O.C(=O)(C(=O)[O-])[O-]
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Product OPENEYE NAME: 5-(1,3-dimethylbutyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-ethyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-ethyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H20N2O3
MOLECULAR WEIGHT: 240.2988
SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)CC(C)C
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methyl]propanedinitrile
CAS Name: 2-[(4-chlorophenyl)methyl]propanedinitrile
IUPAC NAME: 2-[(4-chlorophenyl)methyl]propanedinitrile
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methyl]propanedinitrile
MOLECULAR FORMULA: C10H7ClN2
MOLECULAR WEIGHT: 190.62898
SMILES: C1=CC(=CC=C1CC(C#N)C#N)Cl
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Product OPENEYE NAME: 4-morpholino-2-(2-morpholinoethyl)-2-phenyl-butanamide
CAS Name: 4-(4-morpholinyl)-2-[2-(4-morpholinyl)ethyl]-2-phenylbutanamide
IUPAC NAME: 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanamide
SYSTEMATIC NAME: 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenyl-butanamide
MOLECULAR FORMULA: C20H31N3O3
MOLECULAR WEIGHT: 361.47844
SMILES: C1COCCN1CCC(CCN2CCOCC2)(C3=CC=CC=C3)C(=O)N
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Product OPENEYE NAME: O1-methyl O6-vinyl hexanedioate
CAS Name: hexanedioic acid O6-ethenyl ester O1-methyl ester
IUPAC NAME: 6-O-ethenyl 1-O-methyl hexanedioate
SYSTEMATIC NAME: O6-ethenyl O1-methyl hexanedioate
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: COC(=O)CCCCC(=O)OC=C
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Product OPENEYE NAME: (2,2,2-trichloro-1-phenyl-ethyl)benzene
CAS Name: (2,2,2-trichloro-1-phenylethyl)benzene
IUPAC NAME: (2,2,2-trichloro-1-phenylethyl)benzene
SYSTEMATIC NAME: [2,2,2-tris(chloranyl)-1-phenyl-ethyl]benzene
MOLECULAR FORMULA: C14H11Cl3
MOLECULAR WEIGHT: 285.59614
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
CAS Name: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
IUPAC NAME: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2,6-dimethyl-1H-pyridin-4-one
MOLECULAR FORMULA: C7H7Cl2NO
MOLECULAR WEIGHT: 192.04258
SMILES: CC1=C(C(=O)C(=C(N1)C)Cl)Cl
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Product OPENEYE NAME: 2-chloro-4,6-diphenoxy-1,3,5-triazine
CAS Name: 2-chloro-4,6-diphenoxy-1,3,5-triazine
IUPAC NAME: 2-chloro-4,6-diphenoxy-1,3,5-triazine
SYSTEMATIC NAME: 2-chloranyl-4,6-diphenoxy-1,3,5-triazine
MOLECULAR FORMULA: C15H10ClN3O2
MOLECULAR WEIGHT: 299.7118
SMILES: C1=CC=C(C=C1)OC2=NC(=NC(=N2)Cl)OC3=CC=CC=C3
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Product OPENEYE NAME: 2-[(2,4-dichlorophenyl)methylene]propanedinitrile
CAS Name: 2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
IUPAC NAME: 2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C10H4Cl2N2
MOLECULAR WEIGHT: 223.05816
SMILES: C1=CC(=C(C=C1Cl)Cl)C=C(C#N)C#N
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