Product OPENEYE NAME: 5-oxo-1-prop-2-ynyl-pyrrolidine-2-carbaldehyde
CAS Name: 5-oxo-1-prop-2-ynyl-2-pyrrolidinecarboxaldehyde
IUPAC NAME: 5-oxo-1-prop-2-ynylpyrrolidine-2-carbaldehyde
SYSTEMATIC NAME: 5-oxidanylidene-1-prop-2-ynyl-pyrrolidine-2-carbaldehyde
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C#CCN1C(CCC1=O)C=O
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Product OPENEYE NAME: 5-[(E)-3-oxooct-1-enyl]-1-prop-2-ynyl-pyrrolidin-2-one
CAS Name: 5-[(E)-3-oxooct-1-enyl]-1-prop-2-ynyl-2-pyrrolidinone
IUPAC NAME: 5-[(E)-3-oxooct-1-enyl]-1-prop-2-ynylpyrrolidin-2-one
SYSTEMATIC NAME: 5-[(E)-3-oxidanylideneoct-1-enyl]-1-prop-2-ynyl-pyrrolidin-2-one
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCCCCC(=O)/C=C/C1CCC(=O)N1CC#C
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Product OPENEYE NAME: 5-[(E)-3-hydroxyoct-1-enyl]-1-prop-2-ynyl-pyrrolidin-2-one
CAS Name: 5-[(E)-3-hydroxyoct-1-enyl]-1-prop-2-ynyl-2-pyrrolidinone
IUPAC NAME: 5-[(E)-3-hydroxyoct-1-enyl]-1-prop-2-ynylpyrrolidin-2-one
SYSTEMATIC NAME: 5-[(E)-3-oxidanyloct-1-enyl]-1-prop-2-ynyl-pyrrolidin-2-one
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CCCCCC(/C=C/C1CCC(=O)N1CC#C)O
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Product OPENEYE NAME: 5-[(E)-3-hydroxyoct-1-enyl]-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CAS Name: 5-[(E)-3-hydroxyoct-1-enyl]-1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinone
IUPAC NAME: 5-[(E)-3-hydroxyoct-1-enyl]-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
SYSTEMATIC NAME: 5-[(E)-3-oxidanyloct-1-enyl]-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
MOLECULAR FORMULA: C20H32N2O2
MOLECULAR WEIGHT: 332.48028
SMILES: CCCCCC(/C=C/C1CCC(=O)N1CC#CCN2CCCC2)O
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Product OPENEYE NAME: 8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C17H10N4O4
MOLECULAR WEIGHT: 334.2857
SMILES: C1=CC(=CC=C1C2=CC3=NC4=C(C=C3C=C2)C(=O)NC(=O)N4)[N+](=O)[O-]
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Product OPENEYE NAME: 3-methyl-8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 3-methyl-8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 3-methyl-8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 3-methyl-8-(4-nitrophenyl)-1H-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C18H12N4O4
MOLECULAR WEIGHT: 348.31228
SMILES: CN1C(=O)C2=C(NC1=O)N=C3C=C(C=CC3=C2)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 10-methyl-8-(4-nitrophenyl)pyrimido[4,5-b]quinoline-2,4-dione
CAS Name: 10-methyl-8-(4-nitrophenyl)pyrimido[4,5-b]quinoline-2,4-dione
IUPAC NAME: 10-methyl-8-(4-nitrophenyl)pyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-methyl-8-(4-nitrophenyl)pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C18H12N4O4
MOLECULAR WEIGHT: 348.31228
SMILES: CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C=C4C1=NC(=O)NC4=O
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Product OPENEYE NAME: (Z)-3-ethoxy-1-(2-nitrophenyl)-3-oxo-prop-1-en-2-olate
CAS Name: (Z)-3-ethoxy-1-(2-nitrophenyl)-3-oxo-1-propen-2-olate
IUPAC NAME: (Z)-3-ethoxy-1-(2-nitrophenyl)-3-oxoprop-1-en-2-olate
SYSTEMATIC NAME: (Z)-3-ethoxy-1-(2-nitrophenyl)-3-oxidanylidene-prop-1-en-2-olate
MOLECULAR FORMULA: C11H10NO5-
MOLECULAR WEIGHT: 236.2008
SMILES: CCOC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/[O-]
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Product OPENEYE NAME: ethyl 5-chloro-3-(2-nitrophenyl)-2-oxo-hex-5-enoate
CAS Name: 5-chloro-3-(2-nitrophenyl)-2-oxo-5-hexenoic acid ethyl ester
IUPAC NAME: ethyl 5-chloro-3-(2-nitrophenyl)-2-oxohex-5-enoate
SYSTEMATIC NAME: ethyl 5-chloranyl-3-(2-nitrophenyl)-2-oxidanylidene-hex-5-enoate
MOLECULAR FORMULA: C14H14ClNO5
MOLECULAR WEIGHT: 311.71766
SMILES: CCOC(=O)C(=O)C(CC(=C)Cl)C1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: (9S,10S)-9-azido-10-chloro-9,10-dihydrophenanthrene
CAS Name: (9S,10S)-9-azido-10-chloro-9,10-dihydrophenanthrene
IUPAC NAME: (9S,10S)-9-azido-10-chloro-9,10-dihydrophenanthrene
SYSTEMATIC NAME: (9S,10S)-9-azido-10-chloranyl-9,10-dihydrophenanthrene
MOLECULAR FORMULA: C14H10ClN3
MOLECULAR WEIGHT: 255.7023
SMILES: C1=CC=C2C(=C1)[C@@H]([C@H](C3=CC=CC=C32)Cl)N=[N+]=[N-]
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Product OPENEYE NAME: 1-isoquinolyl-(6-methyl-2-pyridyl)methanol
CAS Name: 1-isoquinolinyl-(6-methyl-2-pyridinyl)methanol
IUPAC NAME: isoquinolin-1-yl-(6-methylpyridin-2-yl)methanol
SYSTEMATIC NAME: isoquinolin-1-yl-(6-methylpyridin-2-yl)methanol
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: CC1=NC(=CC=C1)C(C2=NC=CC3=CC=CC=C32)O
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Product OPENEYE NAME: [1-acetyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] benzoate
CAS Name: benzoic acid [1-acetyl-4-(4-bromo-1-isoquinolinyl)-4-piperidinyl] ester
IUPAC NAME: [1-acetyl-4-(4-bromoisoquinolin-1-yl)piperidin-4-yl] benzoate
SYSTEMATIC NAME: [4-(4-bromanylisoquinolin-1-yl)-1-ethanoyl-piperidin-4-yl] benzoate
MOLECULAR FORMULA: C23H21BrN2O3
MOLECULAR WEIGHT: 453.32844
SMILES: CC(=O)N1CCC(CC1)(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-methyl-2-[6-(methylamino)-5-[[6-(methylamino)-3-[2-(methylamino)-2-oxo-ethyl]-2,4-dioxo-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2,4-dioxo-1H-pyrimidin-3-yl]propanamide
CAS Name: N-methyl-2-[6-(methylamino)-5-[[6-(methylamino)-3-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2,4-dioxo-1H-pyrimidin-3-yl]propanamide
IUPAC NAME: N-methyl-2-[6-(methylamino)-5-[[6-(methylamino)-3-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2,4-dioxo-1H-pyrimidin-3-yl]propanamide
SYSTEMATIC NAME: N-methyl-2-[6-(methylamino)-5-[[6-(methylamino)-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]propanamide
MOLECULAR FORMULA: C24H29N9O8
MOLECULAR WEIGHT: 571.54256
SMILES: CC(C(=O)NC)N1C(=O)C(=C(NC1=O)NC)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(NC(=O)N(C3=O)CC(=O)NC)NC
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Product OPENEYE NAME: N-(2-chlorophenyl)-N-[(Z)-3-cyanoallyl]acetamide
CAS Name: N-(2-chlorophenyl)-N-[(Z)-3-cyanoprop-2-enyl]acetamide
IUPAC NAME: N-(2-chlorophenyl)-N-[(Z)-3-cyanoprop-2-enyl]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-N-[(Z)-3-cyanoprop-2-enyl]ethanamide
MOLECULAR FORMULA: C12H11ClN2O
MOLECULAR WEIGHT: 234.68154
SMILES: CC(=O)N(C/C=C\C#N)C1=CC=CC=C1Cl
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Product OPENEYE NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)tetrahydrofuran-2-yl]-5-oxo-thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CAS Name: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)-2-oxolanyl]-5-oxo-7-thiazolo[3,2-a]pyrimidin-8-iumolate
IUPAC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
SYSTEMATIC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
MOLECULAR FORMULA: C20H36N2O6SSi3
MOLECULAR WEIGHT: 516.83114
SMILES: C[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[N+]2=C3N(C=CS3)C(=O)C=C2[O-])O[Si](C)(C)C)O[Si](C)(C)C
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Product OPENEYE NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)tetrahydrofuran-2-yl]-7-hydroxy-thiazolo[3,2-a]pyrimidin-8-ium-5-one
CAS Name: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)-2-oxolanyl]-7-hydroxy-5-thiazolo[3,2-a]pyrimidin-8-iumone
IUPAC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
SYSTEMATIC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-7-oxidanyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
MOLECULAR FORMULA: C20H37N2O6SSi3+
MOLECULAR WEIGHT: 517.83908
SMILES: C[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[N+]2=C3N(C=CS3)C(=O)C=C2O)O[Si](C)(C)C)O[Si](C)(C)C
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Product OPENEYE NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)tetrahydrofuran-2-yl]-6-ethyl-5-oxo-thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CAS Name: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)-2-oxolanyl]-6-ethyl-5-oxo-7-thiazolo[3,2-a]pyrimidin-8-iumolate
IUPAC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-6-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
SYSTEMATIC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-6-ethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
MOLECULAR FORMULA: C22H40N2O6SSi3
MOLECULAR WEIGHT: 544.8843
SMILES: CCC1=C([N+](=C2N(C1=O)C=CS2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[O-]
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Product OPENEYE NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)tetrahydrofuran-2-yl]-6-ethyl-7-hydroxy-thiazolo[3,2-a]pyrimidin-8-ium-5-one
CAS Name: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)-2-oxolanyl]-6-ethyl-7-hydroxy-5-thiazolo[3,2-a]pyrimidin-8-iumone
IUPAC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-6-ethyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
SYSTEMATIC NAME: 8-[(2R,3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-6-ethyl-7-oxidanyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
MOLECULAR FORMULA: C22H41N2O6SSi3+
MOLECULAR WEIGHT: 545.89224
SMILES: CCC1=C([N+](=C2N(C1=O)C=CS2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O
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