Product OPENEYE NAME: 6-(2-bromoethyl)-1,3,5-triazine-2,4-diamine
CAS Name: 6-(2-bromoethyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-(2-bromoethyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-(2-bromoethyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C5H8BrN5
MOLECULAR WEIGHT: 218.05452
SMILES: C(CBr)C1=NC(=NC(=N1)N)N
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Product OPENEYE NAME: disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
CAS Name: disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
IUPAC NAME: disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C10H12N5Na2O7P
MOLECULAR WEIGHT: 391.184881
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
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Product OPENEYE NAME: 2-tert-butylcyclobutanone
CAS Name: 2-tert-butyl-1-cyclobutanone
IUPAC NAME: 2-tert-butylcyclobutan-1-one
SYSTEMATIC NAME: 2-tert-butylcyclobutan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC(C)(C)C1CCC1=O
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Product OPENEYE NAME: 5-[(4-chlorophenoxy)methyl]-5-phenyl-imidazolidine-2,4-dione
CAS Name: 5-[(4-chlorophenoxy)methyl]-5-phenylimidazolidine-2,4-dione
IUPAC NAME: 5-[(4-chlorophenoxy)methyl]-5-phenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-chloranylphenoxy)methyl]-5-phenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C16H13ClN2O3
MOLECULAR WEIGHT: 316.73902
SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)COC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-[(4-chlorophenoxy)methyl]-5-methyl-imidazolidine-2,4-dione
CAS Name: 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
IUPAC NAME: 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-chloranylphenoxy)methyl]-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H11ClN2O3
MOLECULAR WEIGHT: 254.66964
SMILES: CC1(C(=O)NC(=O)N1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-chloroethyl(dimethyl)ammonium chloride
CAS Name: 2-chloroethyl(dimethyl)ammonium chloride
IUPAC NAME: 2-chloroethyl(dimethyl)azanium chloride
SYSTEMATIC NAME: 2-chloroethyl(dimethyl)azanium chloride
MOLECULAR FORMULA: C4H11Cl2N
MOLECULAR WEIGHT: 144.04284
SMILES: C[NH+](C)CCCl.[Cl-]
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Product OPENEYE NAME: 3-bromo-2-hydroxy-cyclohepta-2,4,6-trien-1-one
CAS Name: 3-bromo-2-hydroxy-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 3-bromanyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C7H5BrO2
MOLECULAR WEIGHT: 201.0174
SMILES: C1=CC(=C(C(=O)C=C1)O)Br
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Product OPENEYE NAME: [3-[bis(2-chloroethyl)amino]phenyl]-morpholino-methanone
CAS Name: [3-[bis(2-chloroethyl)amino]phenyl]-(4-morpholinyl)methanone
IUPAC NAME: [3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C15H20Cl2N2O2
MOLECULAR WEIGHT: 331.2375
SMILES: C1COCCN1C(=O)C2=CC(=CC=C2)N(CCCl)CCCl
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Product OPENEYE NAME: N-(2,4,6-trinitrophenyl)nitramide
CAS Name: N-(2,4,6-trinitrophenyl)nitramide
IUPAC NAME: N-(2,4,6-trinitrophenyl)nitramide
SYSTEMATIC NAME: N-(2,4,6-trinitrophenyl)nitramide
MOLECULAR FORMULA: C6H3N5O8
MOLECULAR WEIGHT: 273.11672
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: dibutyl(dichloro)germane
CAS Name: dibutyl(dichloro)germane
IUPAC NAME: dibutyl(dichloro)germane
SYSTEMATIC NAME: dibutyl-bis(chloranyl)germane
MOLECULAR FORMULA: C8H18Cl2Ge
MOLECULAR WEIGHT: 257.77452
SMILES: CCCC[Ge](CCCC)(Cl)Cl
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Product OPENEYE NAME: 3-phenylbutanoic acid
CAS Name: 3-phenylbutanoic acid
IUPAC NAME: 3-phenylbutanoic acid
SYSTEMATIC NAME: 3-phenylbutanoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC(CC(=O)O)C1=CC=CC=C1
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Product OPENEYE NAME: 6,7-dimethoxy-1-methyl-isoquinoline
CAS Name: 6,7-dimethoxy-1-methylisoquinoline
IUPAC NAME: 6,7-dimethoxy-1-methylisoquinoline
SYSTEMATIC NAME: 6,7-dimethoxy-1-methyl-isoquinoline
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC1=NC=CC2=CC(=C(C=C12)OC)OC
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Product OPENEYE NAME: 1,3-dibenzyl-2-phenyl-imidazolidine
CAS Name: 2-phenyl-1,3-bis(phenylmethyl)imidazolidine
IUPAC NAME: 1,3-dibenzyl-2-phenylimidazolidine
SYSTEMATIC NAME: 2-phenyl-1,3-bis(phenylmethyl)imidazolidine
MOLECULAR FORMULA: C23H24N2
MOLECULAR WEIGHT: 328.45006
SMILES: C1CN(C(N1CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: N-methylpyridin-2-amine
CAS Name: N-methyl-2-pyridinamine
IUPAC NAME: N-methylpyridin-2-amine
SYSTEMATIC NAME: N-methylpyridin-2-amine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: CNC1=CC=CC=N1
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Product OPENEYE NAME: 4-[(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxo-butanoic acid
CAS Name: 4-[(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid
IUPAC NAME: 4-[(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
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Product OPENEYE NAME: indeno[2,1-a]phenanthren-11-one
CAS Name: 11-indeno[2,1-a]phenanthrenone
IUPAC NAME: indeno[2,1-a]phenanthren-11-one
SYSTEMATIC NAME: indeno[2,1-a]phenanthren-11-one
MOLECULAR FORMULA: C21H12O
MOLECULAR WEIGHT: 280.31938
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C5=CC=CC=C45
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H12O
MOLECULAR WEIGHT: 280.31938
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC5=CC=CC=C5C=C34
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Product OPENEYE NAME: 2-(4-amino-2-hexoxy-benzoyl)sulfanylethyl-diethyl-ammonium chloride
CAS Name: 2-[[(4-amino-2-hexoxyphenyl)-oxomethyl]thio]ethyl-diethylammonium chloride
IUPAC NAME: 2-(4-amino-2-hexoxybenzoyl)sulfanylethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-(4-azanyl-2-hexoxy-phenyl)carbonylsulfanylethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C19H33ClN2O2S
MOLECULAR WEIGHT: 388.99552
SMILES: CCCCCCOC1=C(C=CC(=C1)N)C(=O)SCC[NH+](CC)CC.[Cl-]
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Product OPENEYE NAME: S-[2-(diethylamino)ethyl] 4-amino-2-hexoxy-benzenecarbothioate
CAS Name: 4-amino-2-hexoxybenzenecarbothioic acid S-[2-(diethylamino)ethyl] ester
IUPAC NAME: S-[2-(diethylamino)ethyl] 4-amino-2-hexoxybenzenecarbothioate
SYSTEMATIC NAME: S-[2-(diethylamino)ethyl] 4-azanyl-2-hexoxy-benzenecarbothioate
MOLECULAR FORMULA: C19H32N2O2S
MOLECULAR WEIGHT: 352.53458
SMILES: CCCCCCOC1=C(C=CC(=C1)N)C(=O)SCCN(CC)CC
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Product OPENEYE NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate hydrobromide
CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester hydrobromide
IUPAC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate hydrobromide
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate hydrobromide
MOLECULAR FORMULA: C17H24BrNO3
MOLECULAR WEIGHT: 370.28136
SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.Br
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Product OPENEYE NAME: 2,3-dimethyl-9H-fluorene
CAS Name: 2,3-dimethyl-9H-fluorene
IUPAC NAME: 2,3-dimethyl-9H-fluorene
SYSTEMATIC NAME: 2,3-dimethyl-9H-fluorene
MOLECULAR FORMULA: C15H14
MOLECULAR WEIGHT: 194.27166
SMILES: CC1=C(C=C2C(=C1)CC3=CC=CC=C32)C
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Product OPENEYE NAME: (1-methyl-2-phenyl-propyl)benzene
CAS Name: 3-phenylbutan-2-ylbenzene
IUPAC NAME: 3-phenylbutan-2-ylbenzene
SYSTEMATIC NAME: 3-phenylbutan-2-ylbenzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CC(C1=CC=CC=C1)C(C)C2=CC=CC=C2
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Product OPENEYE NAME: methyl 2-acetyl-3-oxo-butanoate
CAS Name: 2-acetyl-3-oxobutanoic acid methyl ester
IUPAC NAME: methyl 2-acetyl-3-oxobutanoate
SYSTEMATIC NAME: methyl 2-ethanoyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C7H10O4
MOLECULAR WEIGHT: 158.1519
SMILES: CC(=O)C(C(=O)C)C(=O)OC
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