Product OPENEYE NAME: 7-cyclopentyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Name: 7-cyclopentyl-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinamine
IUPAC NAME: 7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 7-cyclopentyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C13H18N4
MOLECULAR WEIGHT: 230.30882
SMILES: CC1=C(N(C2=C1C(=NC=N2)N)C3CCCC3)C
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Product OPENEYE NAME: 7-(2-furylmethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 7-(2-furanylmethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 7-(furan-2-ylmethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 7-(furan-2-ylmethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CC1=C(N(C2=C1C(=O)N=CN2)CC3=CC=CO3)C
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Product OPENEYE NAME: 7-cyclopentyl-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 7-cyclopentyl-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 7-cyclopentyl-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 7-cyclopentyl-5,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H17N3O
MOLECULAR WEIGHT: 231.29358
SMILES: CC1=C(N(C2=C1C(=O)N=CN2)C3CCCC3)C
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Product OPENEYE NAME: 4-chloro-7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidine
CAS Name: 4-chloro-7-(2-furanylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidine
IUPAC NAME: 4-chloro-7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C13H12ClN3O
MOLECULAR WEIGHT: 261.70688
SMILES: CC1=C(N(C2=C1C(=NC=N2)Cl)CC3=CC=CO3)C
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Product OPENEYE NAME: 5,6-dimethyl-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: 5,6-dimethyl-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 5,6-dimethyl-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5,6-dimethyl-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C16H19N5
MOLECULAR WEIGHT: 281.35556
SMILES: CC1=C(N(C2=C1C(=NC(=N2)N)N)C(C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[2-oxo-3-(triphenyl-$l^{5}-phosphanylidene)propyl]isoindoline-1,3-dione
CAS Name: 2-(2-oxo-3-triphenylphosphoranylidenepropyl)isoindole-1,3-dione
IUPAC NAME: 2-[2-oxo-3-(triphenyl-$l^{5}-phosphanylidene)propyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-oxidanylidene-3-(triphenyl-$l^{5}-phosphanylidene)propyl]isoindole-1,3-dione
MOLECULAR FORMULA: C29H22NO3P
MOLECULAR WEIGHT: 463.463641
SMILES: C1=CC=C(C=C1)P(=CC(=O)CN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 3H-pyrrolo[1,2-b]isoindole-2,5-dione
CAS Name: 3H-pyrrolo[1,2-b]isoindole-2,5-dione
IUPAC NAME: 3H-pyrrolo[1,2-b]isoindole-2,5-dione
SYSTEMATIC NAME: 3H-pyrrolo[1,2-b]isoindole-2,5-dione
MOLECULAR FORMULA: C11H7NO2
MOLECULAR WEIGHT: 185.17878
SMILES: C1C(=O)C=C2N1C(=O)C3=CC=CC=C32
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Product OPENEYE NAME: methyl (E)-2-hydroxyhex-4-enoate
CAS Name: (E)-2-hydroxy-4-hexenoic acid methyl ester
IUPAC NAME: methyl (E)-2-hydroxyhex-4-enoate
SYSTEMATIC NAME: methyl (E)-2-oxidanylhex-4-enoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: C/C=C/CC(C(=O)OC)O
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Product OPENEYE NAME: (E)-1-chloro-3-dichlorophosphoryloxy-but-2-ene
CAS Name: (E)-1-chloro-3-dichlorophosphoryloxy-2-butene
IUPAC NAME: (E)-1-chloro-3-dichlorophosphoryloxybut-2-ene
SYSTEMATIC NAME: (E)-3-bis(chloranyl)phosphoryloxy-1-chloranyl-but-2-ene
MOLECULAR FORMULA: C4H6Cl3O2P
MOLECULAR WEIGHT: 223.422001
SMILES: C/C(=C\CCl)/OP(=O)(Cl)Cl
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Product OPENEYE NAME: 2-chloroanthracene-9,10-diol
CAS Name: 2-chloroanthracene-9,10-diol
IUPAC NAME: 2-chloroanthracene-9,10-diol
SYSTEMATIC NAME: 2-chloranylanthracene-9,10-diol
MOLECULAR FORMULA: C14H9ClO2
MOLECULAR WEIGHT: 244.67306
SMILES: C1=CC=C2C(=C1)C(=C3C=CC(=CC3=C2O)Cl)O
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Product OPENEYE NAME: 2-bromoanthracene-9,10-diol
CAS Name: 2-bromoanthracene-9,10-diol
IUPAC NAME: 2-bromoanthracene-9,10-diol
SYSTEMATIC NAME: 2-bromanylanthracene-9,10-diol
MOLECULAR FORMULA: C14H9BrO2
MOLECULAR WEIGHT: 289.12406
SMILES: C1=CC=C2C(=C1)C(=C3C=CC(=CC3=C2O)Br)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: CC12C=CC(C3=CC=CC=C31)(OO2)CCC(=O)O
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Product OPENEYE NAME: 3-methyl-7-nitro-2-phenyl-1H-indole
CAS Name: 3-methyl-7-nitro-2-phenyl-1H-indole
IUPAC NAME: 3-methyl-7-nitro-2-phenyl-1H-indole
SYSTEMATIC NAME: 3-methyl-7-nitro-2-phenyl-1H-indole
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: 1-phenylethyl nitrate
CAS Name: nitric acid 1-phenylethyl ester
IUPAC NAME: 1-phenylethyl nitrate
SYSTEMATIC NAME: 1-phenylethyl nitrate
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CC(C1=CC=CC=C1)O[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-1-(2-phenylcyclopropyl)propan-1-one
CAS Name: 2-methyl-1-(2-phenylcyclopropyl)-1-propanone
IUPAC NAME: 2-methyl-1-(2-phenylcyclopropyl)propan-1-one
SYSTEMATIC NAME: 2-methyl-1-(2-phenylcyclopropyl)propan-1-one
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: CC(C)C(=O)C1CC1C2=CC=CC=C2
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Product OPENEYE NAME: 2-[2,2-difluoro-1-(fluoromethyl)ethoxy]-1,1,3-trifluoro-propane
CAS Name: 1,1,3-trifluoro-2-(1,1,3-trifluoropropan-2-yloxy)propane
IUPAC NAME: 1,1,3-trifluoro-2-(1,1,3-trifluoropropan-2-yloxy)propane
SYSTEMATIC NAME: 1,1,3-tris(fluoranyl)-2-[1,1,3-tris(fluoranyl)propan-2-yloxy]propane
MOLECULAR FORMULA: C6H8F6O
MOLECULAR WEIGHT: 210.117539
SMILES: C(C(C(F)F)OC(CF)C(F)F)F
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Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-3,4,6-triacetoxy-5-hydroxy-tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,6-triacetyloxy-5-hydroxy-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-3,4,6-triacetyloxy-5-oxidanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H20O10
MOLECULAR WEIGHT: 348.3026
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5S,6S)-3,4,6-triacetoxy-5-hydroxy-tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-hydroxy-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-oxidanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H20O10
MOLECULAR WEIGHT: 348.3026
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 1,1,3-trifluorobutane
CAS Name: 1,1,3-trifluorobutane
IUPAC NAME: 1,1,3-trifluorobutane
SYSTEMATIC NAME: 1,1,3-tris(fluoranyl)butane
MOLECULAR FORMULA: C4H7F3
MOLECULAR WEIGHT: 112.09359
SMILES: CC(CC(F)F)F
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Product OPENEYE NAME: (3-acetoxy-2-nitro-cyclohexyl) acetate
CAS Name: acetic acid (3-acetyloxy-2-nitrocyclohexyl) ester
IUPAC NAME: (3-acetyloxy-2-nitrocyclohexyl) acetate
SYSTEMATIC NAME: (3-acetyloxy-2-nitro-cyclohexyl) ethanoate
MOLECULAR FORMULA: C10H15NO6
MOLECULAR WEIGHT: 245.2292
SMILES: CC(=O)OC1CCCC(C1[N+](=O)[O-])OC(=O)C
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Product OPENEYE NAME: potassium 2-(4-nitropyrazol-1-yl)acetate
CAS Name: potassium 2-(4-nitro-1-pyrazolyl)acetate
IUPAC NAME: potassium 2-(4-nitropyrazol-1-yl)acetate
SYSTEMATIC NAME: potassium 2-(4-nitropyrazol-1-yl)ethanoate
MOLECULAR FORMULA: C5H4KN3O4
MOLECULAR WEIGHT: 209.20126
SMILES: C1=C(C=NN1CC(=O)[O-])[N+](=O)[O-].[K+]
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Product OPENEYE NAME: potassium (E)-2-(4-nitropyrazol-1-yl)-3-oxo-prop-1-en-1-olate
CAS Name: potassium (E)-2-(4-nitro-1-pyrazolyl)-3-oxo-1-propen-1-olate
IUPAC NAME: potassium (E)-2-(4-nitropyrazol-1-yl)-3-oxoprop-1-en-1-olate
SYSTEMATIC NAME: potassium (E)-2-(4-nitropyrazol-1-yl)-3-oxidanylidene-prop-1-en-1-olate
MOLECULAR FORMULA: C6H4KN3O4
MOLECULAR WEIGHT: 221.21196
SMILES: C1=C(C=NN1/C(=C/[O-])/C=O)[N+](=O)[O-].[K+]
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Product OPENEYE NAME: (E)-3-hydroxy-2-(4-nitropyrazol-1-yl)prop-2-enal
CAS Name: (E)-3-hydroxy-2-(4-nitro-1-pyrazolyl)-2-propenal
IUPAC NAME: (E)-3-hydroxy-2-(4-nitropyrazol-1-yl)prop-2-enal
SYSTEMATIC NAME: (E)-2-(4-nitropyrazol-1-yl)-3-oxidanyl-prop-2-enal
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=C(C=NN1/C(=C/O)/C=O)[N+](=O)[O-]
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