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MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C4=C3C5(CCN4)C=CC(=O)C=C5
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MOLECULAR FORMULA: C18H17N3O
MOLECULAR WEIGHT: 291.34708
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCC4=CC=CC=C4
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Product OPENEYE NAME: N-methyl-2-(2-nitroimidazol-1-yl)-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]acetamide
CAS Name: N-methyl-2-(2-nitro-1-imidazolyl)-N-[2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]acetamide
IUPAC NAME: N-methyl-2-(2-nitroimidazol-1-yl)-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]acetamide
SYSTEMATIC NAME: N-[2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-N-methyl-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C14H22N4O9
MOLECULAR WEIGHT: 390.34588
SMILES: CN(CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)CN2C=CN=C2[N+](=O)[O-]
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Product OPENEYE NAME: N-methyl-2-(2-nitroimidazol-1-yl)-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]acetamide
CAS Name: N-methyl-2-(2-nitro-1-imidazolyl)-N-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]acetamide
IUPAC NAME: N-methyl-2-(2-nitroimidazol-1-yl)-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]acetamide
SYSTEMATIC NAME: N-[2-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-N-methyl-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C14H22N4O9
MOLECULAR WEIGHT: 390.34588
SMILES: CN(CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)CN2C=CN=C2[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(2S,3R,5S)-3-hydroxy-5-tridecyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
CAS Name: 1-[(2S,3R,5S)-3-hydroxy-5-tridecyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-pyrrolidinyl]-1-hexacosanone
IUPAC NAME: 1-[(2S,3R,5S)-3-hydroxy-5-tridecyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
SYSTEMATIC NAME: 1-[(2S,3R,5S)-2-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-oxidanyl-5-tridecyl-pyrrolidin-1-yl]hexacosan-1-one
MOLECULAR FORMULA: C50H97NO8
MOLECULAR WEIGHT: 840.30708
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1[C@H](C[C@H]([C@@H]1CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CCCCCCCCCCCCC
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Product OPENEYE NAME: 2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
CAS Name: 2-(methylthio)-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
IUPAC NAME: 2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 2-methylsulfanyl-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C11H8N4O2S
MOLECULAR WEIGHT: 260.27182
SMILES: CSC1=NC(=O)C2=[N+](C3=CC=CC=C3N=C2N1)[O-]
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Product OPENEYE NAME: N-methyl-2-(2-nitroimidazol-1-yl)-N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]acetamide
CAS Name: N-methyl-2-(2-nitro-1-imidazolyl)-N-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]acetamide
IUPAC NAME: N-methyl-2-(2-nitroimidazol-1-yl)-N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]acetamide
SYSTEMATIC NAME: N-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-N-methyl-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C14H22N4O9
MOLECULAR WEIGHT: 390.34588
SMILES: CN(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)CN2C=CN=C2[N+](=O)[O-]
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Product OPENEYE NAME: (1R,2S)-1-phenyl-2-(tetradecylamino)propan-1-ol
CAS Name: (1R,2S)-1-phenyl-2-(tetradecylamino)-1-propanol
IUPAC NAME: (1R,2S)-1-phenyl-2-(tetradecylamino)propan-1-ol
SYSTEMATIC NAME: (1R,2S)-1-phenyl-2-(tetradecylamino)propan-1-ol
MOLECULAR FORMULA: C23H41NO
MOLECULAR WEIGHT: 347.57774
SMILES: CCCCCCCCCCCCCCN[C@@H](C)[C@@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: N-benzyl-6-tert-butyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-6-tert-butyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CC(C)(C)C1=CC(=NC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=CC=C3
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Product OPENEYE NAME: 6-isopropyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-6-propan-2-yl-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-6-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-6-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H21N3O2S2
MOLECULAR WEIGHT: 387.51894
SMILES: CC(C)C1=CC(=NC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=CS3
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Product OPENEYE NAME: N-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-tetradecanamide
CAS Name: N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
IUPAC NAME: N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SYSTEMATIC NAME: N-methyl-N-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C24H41NO2
MOLECULAR WEIGHT: 375.58784
SMILES: CCCCCCCCCCCCCC(=O)N(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O
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