Product OPENEYE NAME: N-[(1R)-1-(4-isopropylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: 4-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: 4-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: 4-oxidanylidene-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C20H22N3O2+
MOLECULAR WEIGHT: 336.40758
SMILES: C[C@H](C1=CC=C(C=C1)C(C)C)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-[(1S)-1-(4-isopropylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: 4-oxo-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: 4-oxo-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: 4-oxidanylidene-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C20H22N3O2+
MOLECULAR WEIGHT: 336.40758
SMILES: C[C@@H](C1=CC=C(C=C1)C(C)C)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N'-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyridine-3-carbohydrazide
CAS Name: N'-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-pyridinecarbohydrazide
IUPAC NAME: N'-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyridine-3-carbohydrazide
SYSTEMATIC NAME: N'-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyridine-3-carbohydrazide
MOLECULAR FORMULA: C17H16N6O3S
MOLECULAR WEIGHT: 384.41234
SMILES: COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NNC(=O)C3=CN=CC=C3
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Product OPENEYE NAME: dimethyl-[(1R)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-1-phenyl-ethyl]ammonium
CAS Name: dimethyl-[(1R)-2-[[oxo-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)methyl]amino]-1-phenylethyl]ammonium
IUPAC NAME: dimethyl-[(1R)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-1-phenylethyl]azanium
SYSTEMATIC NAME: dimethyl-[(1R)-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]-1-phenyl-ethyl]azanium
MOLECULAR FORMULA: C19H22N4O2+2
MOLECULAR WEIGHT: 338.40358
SMILES: C[NH+](C)[C@@H](CNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C19H21N4O2+
MOLECULAR WEIGHT: 337.39564
SMILES: CN(C)[C@@H](CNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: dimethyl-[(1S)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-1-phenyl-ethyl]ammonium
CAS Name: dimethyl-[(1S)-2-[[oxo-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)methyl]amino]-1-phenylethyl]ammonium
IUPAC NAME: dimethyl-[(1S)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-1-phenylethyl]azanium
SYSTEMATIC NAME: dimethyl-[(1S)-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]-1-phenyl-ethyl]azanium
MOLECULAR FORMULA: C19H22N4O2+2
MOLECULAR WEIGHT: 338.40358
SMILES: C[NH+](C)[C@H](CNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C19H21N4O2+
MOLECULAR WEIGHT: 337.39564
SMILES: CN(C)[C@H](CNC(=O)C1=CNC2=CC=CC=[N+]2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]morpholine
CAS Name: 4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]morpholine
IUPAC NAME: 4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]morpholine
SYSTEMATIC NAME: 4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]morpholine
MOLECULAR FORMULA: C15H20N2O3S
MOLECULAR WEIGHT: 308.3959
SMILES: C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: N-[(3-methoxyphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(3-methoxyphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(3-methoxyphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C17H16N3O3+
MOLECULAR WEIGHT: 310.32724
SMILES: COC1=CC=CC(=C1)CNC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: 1-cyclohexyl-3-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea
CAS Name: 1-cyclohexyl-3-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]urea
IUPAC NAME: 1-cyclohexyl-3-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea
SYSTEMATIC NAME: 1-cyclohexyl-3-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]urea
MOLECULAR FORMULA: C20H32N5O2+
MOLECULAR WEIGHT: 374.50038
SMILES: C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3
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Product OPENEYE NAME: N-(2-isopropylphenyl)-2-(phenylcarbamoylamino)acetamide
CAS Name: 2-[[anilino(oxo)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
IUPAC NAME: 2-(phenylcarbamoylamino)-N-(2-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2-(phenylcarbamoylamino)-N-(2-propan-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C18H21N3O2
MOLECULAR WEIGHT: 311.37824
SMILES: CC(C)C1=CC=CC=C1NC(=O)CNC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide
CAS Name: N-[[3-(trifluoromethyl)phenyl]methyl]-4-morpholinesulfonamide
IUPAC NAME: N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide
SYSTEMATIC NAME: N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-sulfonamide
MOLECULAR FORMULA: C12H15F3N2O3S
MOLECULAR WEIGHT: 324.31931
SMILES: C1COCCN1S(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: N'-acetyl-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbohydrazide
CAS Name: N'-acetyl-4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarbohydrazide
IUPAC NAME: N'-acetyl-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SYSTEMATIC NAME: N'-ethanoyl-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
MOLECULAR FORMULA: C14H12F3N3O2S
MOLECULAR WEIGHT: 343.32419
SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NNC(=O)C
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Product OPENEYE NAME: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]morpholine
CAS Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]morpholine
IUPAC NAME: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]morpholine
SYSTEMATIC NAME: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]morpholine
MOLECULAR FORMULA: C15H22N2O5S
MOLECULAR WEIGHT: 342.41058
SMILES: COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)N3CCOCC3)OC
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Product OPENEYE NAME: 1-(4-methyl-1,4-diazepan-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(1-phenyl-4-pyrazolyl)ethanone
IUPAC NAME: 1-(4-methyl-1,4-diazepan-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
SYSTEMATIC NAME: 1-(4-methyl-1,4-diazepan-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
MOLECULAR FORMULA: C17H22N4O
MOLECULAR WEIGHT: 298.38278
SMILES: CN1CCCN(CC1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(2-chloro-4-fluoro-phenyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-(2-chloro-4-fluorophenyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-(2-chloro-4-fluorophenyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-(2-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C15H10ClFN3O2+
MOLECULAR WEIGHT: 318.710203
SMILES: C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NC3=C(C=C(C=C3)F)Cl
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Product OPENEYE NAME: N-cyclopropyl-2-(5-methyl-2-phenyl-oxazol-4-yl)acetamide
CAS Name: N-cyclopropyl-2-(5-methyl-2-phenyl-4-oxazolyl)acetamide
IUPAC NAME: N-cyclopropyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SYSTEMATIC NAME: N-cyclopropyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)NC3CC3
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C17H14ClFN3O2+
MOLECULAR WEIGHT: 346.763363
SMILES: CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C18H18N3O2S+
MOLECULAR WEIGHT: 340.41942
SMILES: CN(CC1=CC=C(C=C1)SC)C(=O)C2=CNC3=CC=CC=[N+]3C2=O
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