Product OPENEYE NAME: 5-methylbenzo[c]phenanthrene
CAS Name: 5-methylbenzo[c]phenanthrene
IUPAC NAME: 5-methylbenzo[c]phenanthrene
SYSTEMATIC NAME: 5-methylbenzo[c]phenanthrene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC2=C(C3=CC=CC=C3C=C2)C4=CC=CC=C14
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Product OPENEYE NAME: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CAS Name: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
IUPAC NAME: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
SYSTEMATIC NAME: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O
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Product OPENEYE NAME: 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
CAS Name: 1-[10-[3-(4-methyl-1-piperazinyl)propyl]-2-phenothiazinyl]-1-butanone
IUPAC NAME: 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
SYSTEMATIC NAME: 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
MOLECULAR FORMULA: C24H31N3OS
MOLECULAR WEIGHT: 409.58744
SMILES: CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
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Product OPENEYE NAME: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H14N5O6P
MOLECULAR WEIGHT: 331.221821
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O
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Product OPENEYE NAME: (3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one
CAS Name: (3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxy-2-heptanone
IUPAC NAME: (3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one
SYSTEMATIC NAME: (3S,4S,5R,6R)-1,3,4,5,6,7-hexakis(oxidanyl)heptan-2-one
MOLECULAR FORMULA: C7H14O7
MOLECULAR WEIGHT: 210.18186
SMILES: C([C@H]([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O)O
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Product OPENEYE NAME: sodium 4-nitro-3-(trifluoromethyl)phenolate
CAS Name: sodium 4-nitro-3-(trifluoromethyl)phenolate
IUPAC NAME: sodium 4-nitro-3-(trifluoromethyl)phenolate
SYSTEMATIC NAME: sodium 4-nitro-3-(trifluoromethyl)phenolate
MOLECULAR FORMULA: C7H3F3NNaO3
MOLECULAR WEIGHT: 229.0886
SMILES: C1=CC(=C(C=C1[O-])C(F)(F)F)[N+](=O)[O-].[Na+]
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Product OPENEYE NAME: 2-(dimethylamino)-5-phenyl-oxazol-4-one
CAS Name: 2-(dimethylamino)-5-phenyl-4-oxazolone
IUPAC NAME: 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
SYSTEMATIC NAME: 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CN(C)C1=NC(=O)C(O1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[7-(2-ethoxy-2-oxo-ethoxy)-4-methyl-2-oxo-chromen-3-yl]ethyl-diethyl-ammonium chloride
CAS Name: 2-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-1-benzopyran-3-yl]ethyl-diethylammonium chloride
IUPAC NAME: 2-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]ethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-[7-(2-ethoxy-2-oxidanylidene-ethoxy)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C20H28ClNO5
MOLECULAR WEIGHT: 397.89302
SMILES: CC[NH+](CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.[Cl-]
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Product OPENEYE NAME: ethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-chromen-7-yl]oxyacetate
CAS Name: 2-[[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate
SYSTEMATIC NAME: ethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoate
MOLECULAR FORMULA: C20H27NO5
MOLECULAR WEIGHT: 361.43208
SMILES: CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C
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Product OPENEYE NAME: phenazine-1,2-diamine
CAS Name: phenazine-1,2-diamine
IUPAC NAME: phenazine-1,2-diamine
SYSTEMATIC NAME: phenazine-1,2-diamine
MOLECULAR FORMULA: C12H10N4
MOLECULAR WEIGHT: 210.2346
SMILES: C1=CC=C2C(=C1)N=C3C=CC(=C(C3=N2)N)N
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Product OPENEYE NAME: (2-fluorophenyl)urea
CAS Name: (2-fluorophenyl)urea
IUPAC NAME: (2-fluorophenyl)urea
SYSTEMATIC NAME: 1-(2-fluorophenyl)urea
MOLECULAR FORMULA: C7H7FN2O
MOLECULAR WEIGHT: 154.141683
SMILES: C1=CC=C(C(=C1)NC(=O)N)F
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Product OPENEYE NAME: 6-chloro-2-(trifluoromethyl)-1H-benzimidazole
CAS Name: 6-chloro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 6-chloro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-chloranyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8H4ClF3N2
MOLECULAR WEIGHT: 220.57897
SMILES: C1=CC2=C(C=C1Cl)NC(=N2)C(F)(F)F
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Product OPENEYE NAME: [fluoro(methyl)phosphoryl]benzene
CAS Name: [fluoro(methyl)phosphoryl]benzene
IUPAC NAME: [fluoro(methyl)phosphoryl]benzene
SYSTEMATIC NAME: [fluoranyl(methyl)phosphoryl]benzene
MOLECULAR FORMULA: C7H8FOP
MOLECULAR WEIGHT: 158.109984
SMILES: CP(=O)(C1=CC=CC=C1)F
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Product OPENEYE NAME: N-[3-(trifluoromethyl)phenyl]formamide
CAS Name: N-[3-(trifluoromethyl)phenyl]formamide
IUPAC NAME: N-[3-(trifluoromethyl)phenyl]formamide
SYSTEMATIC NAME: N-[3-(trifluoromethyl)phenyl]methanamide
MOLECULAR FORMULA: C8H6F3NO
MOLECULAR WEIGHT: 189.13455
SMILES: C1=CC(=CC(=C1)NC=O)C(F)(F)F
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Product OPENEYE NAME: N2,N4-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CAS Name: N2,N4-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N4-diethyl-6-fluoranyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C7H12FN5
MOLECULAR WEIGHT: 185.202083
SMILES: CCNC1=NC(=NC(=N1)F)NCC
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Product OPENEYE NAME: (4-fluorophenyl)urea
CAS Name: (4-fluorophenyl)urea
IUPAC NAME: (4-fluorophenyl)urea
SYSTEMATIC NAME: 1-(4-fluorophenyl)urea
MOLECULAR FORMULA: C7H7FN2O
MOLECULAR WEIGHT: 154.141683
SMILES: C1=CC(=CC=C1NC(=O)N)F
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Product OPENEYE NAME: isopentyl 3-methylbutanoate
CAS Name: 3-methylbutanoic acid 3-methylbutyl ester
IUPAC NAME: 3-methylbutyl 3-methylbutanoate
SYSTEMATIC NAME: 3-methylbutyl 3-methylbutanoate
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CC(C)CCOC(=O)CC(C)C
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Product OPENEYE NAME: bicyclo[5.1.0]oct-4-ene
CAS Name: bicyclo[5.1.0]oct-4-ene
IUPAC NAME: bicyclo[5.1.0]oct-4-ene
SYSTEMATIC NAME: bicyclo[5.1.0]oct-4-ene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CC2CC2CC=C1
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Product OPENEYE NAME: butane-1-sulfonyl fluoride
CAS Name: 1-butanesulfonyl fluoride
IUPAC NAME: butane-1-sulfonyl fluoride
SYSTEMATIC NAME: butane-1-sulfonyl fluoride
MOLECULAR FORMULA: C4H9FO2S
MOLECULAR WEIGHT: 140.176463
SMILES: CCCCS(=O)(=O)F
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Product OPENEYE NAME: 4-fluorobutane-1-sulfonyl fluoride
CAS Name: 4-fluoro-1-butanesulfonyl fluoride
IUPAC NAME: 4-fluorobutane-1-sulfonyl fluoride
SYSTEMATIC NAME: 4-fluoranylbutane-1-sulfonyl fluoride
MOLECULAR FORMULA: C4H8F2O2S
MOLECULAR WEIGHT: 158.166926
SMILES: C(CCS(=O)(=O)F)CF
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