Product OPENEYE NAME: 1-[7-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-quinolyl]-3-pyrazin-2-yl-urea
CAS Name: 1-[7-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-quinolinyl]-3-(2-pyrazinyl)urea
IUPAC NAME: 1-[7-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinolin-4-yl]-3-pyrazin-2-ylurea
SYSTEMATIC NAME: 1-[7-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinolin-4-yl]-3-pyrazin-2-yl-urea
MOLECULAR FORMULA: C19H19N7O
MOLECULAR WEIGHT: 361.40046
SMILES: C1[C@H]2CN[C@H]1CN2C3=CC4=NC=CC(=C4C=C3)NC(=O)NC5=NC=CN=C5
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Product OPENEYE NAME: 1-[6-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-pyridyl]-3-(7-methoxy-4-quinolyl)urea
CAS Name: 1-[6-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-pyridinyl]-3-(7-methoxy-4-quinolinyl)urea
IUPAC NAME: 1-[6-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)pyridin-2-yl]-3-(7-methoxyquinolin-4-yl)urea
SYSTEMATIC NAME: 1-[6-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)pyridin-2-yl]-3-(7-methoxyquinolin-4-yl)urea
MOLECULAR FORMULA: C22H23N5O3
MOLECULAR WEIGHT: 405.44972
SMILES: COC1=CC2=NC=CC(=C2C=C1)NC(=O)NC3=CC=CC(=N3)N4CC5COCC5C4
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Product OPENEYE NAME: 5-[[(3R)-2-[4-(1-hydroxyhexyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid
CAS Name: 5-[[(3R)-2-[4-(1-hydroxyhexyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]-2-thiophenecarboxylic acid
IUPAC NAME: 5-[[(3R)-2-[4-(1-hydroxyhexyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[[(3R)-2-[4-(1-oxidanylhexyl)phenyl]-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C22H29NO6S2
MOLECULAR WEIGHT: 467.59876
SMILES: CCCCCC(C1=CC=C(C=C1)N2[C@H](CCS2(=O)=O)COCC3=CC=C(S3)C(=O)O)O
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Product OPENEYE NAME: (E)-7-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxy-but-1-enyl]-3-hydroxy-cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-oxidanyl-but-1-enyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H35NO4
MOLECULAR WEIGHT: 389.5283
SMILES: CCC1(CCC1)C(C/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2C/C=C/CCCC(=O)O)C#N)O)O
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Product OPENEYE NAME: 5-[3-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxy-but-1-enyl]-3-hydroxy-cyclopentyl]propyl]thiophene-2-carboxylic acid
CAS Name: 5-[3-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]propyl]-2-thiophenecarboxylic acid
IUPAC NAME: 5-[3-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[3-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-oxidanyl-but-1-enyl]-3-oxidanyl-cyclopentyl]propyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C24H33NO4S
MOLECULAR WEIGHT: 431.58812
SMILES: CCC1(CCC1)C(C/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2CCCC3=CC=C(S3)C(=O)O)C#N)O)O
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Product OPENEYE NAME: zinc; 2-hydroxyheptanoate; (E)-3-(1H-imidazol-5-yl)prop-2-enoate
CAS Name: zinc; 2-hydroxyheptanoate; (E)-3-(1H-imidazol-5-yl)-2-propenoate
IUPAC NAME: zinc; 2-hydroxyheptanoate; (E)-3-(1H-imidazol-5-yl)prop-2-enoate
SYSTEMATIC NAME: zinc; (E)-3-(1H-imidazol-5-yl)prop-2-enoate; 2-oxidanylheptanoate
MOLECULAR FORMULA: C13H18N2O5Zn
MOLECULAR WEIGHT: 347.70142
SMILES: CCCCCC(C(=O)[O-])O.C1=C(NC=N1)/C=C/C(=O)[O-].[Zn+2]
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Product OPENEYE NAME: 5-amino-4-oxo-pentanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: 5-amino-4-oxopentanoic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: 5-amino-4-oxopentanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: 5-azanyl-4-oxidanylidene-pentanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
MOLECULAR FORMULA: C11H15MoN3O5
MOLECULAR WEIGHT: 365.1939
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C(CC(=O)O)C(=O)CN.[Mo]
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Product OPENEYE NAME: 3-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 231.314018
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OCC2CN(C(=O)O2)[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 224.270885
SMILES: [2H]C([2H])(C1CN(C(=O)O1)[2H])OC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3-deuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3-deuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3-deuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3-deuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 230.307856
SMILES: [2H]C([2H])([2H])C1=CC(=CC(=C1)OC([2H])([2H])C2CN(C(=O)O2)[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3-deuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3-deuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3-deuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-deuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 227.289371
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OC([2H])([2H])C2CN(C(=O)O2)[2H])[2H])C
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Product OPENEYE NAME: 3-deuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3-deuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3-deuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-deuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 233.326341
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OC([2H])([2H])C2CN(C(=O)O2)[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,5-dideuterio-5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,5-dideuterio-5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,5-dideuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,5-dideuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 223.264724
SMILES: [2H]C1(CN(C(=O)O1)[2H])COC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,5-dideuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,5-dideuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,5-dideuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,5-dideuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 229.301694
SMILES: [2H]C1(CN(C(=O)O1)[2H])COC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,5-dideuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3,5-dideuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,5-dideuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,5-dideuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 226.283209
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OCC2(CN(C(=O)O2)[2H])[2H])[2H])C
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Product OPENEYE NAME: 4-[3-[2-(benzylamino)ethoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-dichloro-cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[2-[(phenylmethyl)amino]ethoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 4-[3-[2-(benzylamino)ethoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[2-[(phenylmethyl)amino]ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H16Cl2N4O2
MOLECULAR WEIGHT: 391.25124
SMILES: C1=CC=C(C=C1)CNCCOC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[3-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[3-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[3-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[3-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H16Cl2N4O2
MOLECULAR WEIGHT: 391.25124
SMILES: CN(C)C1=CC=CC(=C1)COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[[(2-nitrophenyl)thio]methyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H10Br2N4O3S
MOLECULAR WEIGHT: 498.1486
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H10Cl2FN3O2
MOLECULAR WEIGHT: 366.173903
SMILES: C1=CC(=CC=C1COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2)F
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[4-[[(2,3-dichlorophenyl)methylamino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[4-[[(2,3-dichlorophenyl)methylamino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[4-[[(2,3-dichlorophenyl)methylamino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[3-[[4-[[[2,3-bis(chloranyl)phenyl]methylamino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-bis(chloranyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C24H18Cl4N4O2
MOLECULAR WEIGHT: 536.23732
SMILES: C1=CC(=C(C(=C1)Cl)Cl)CNCC2=CC=C(C=C2)COC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(3,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(3,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(3,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[3-[[3,4-bis(fluoranyl)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-bis(chloranyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H9Cl2F2N3O2
MOLECULAR WEIGHT: 384.164366
SMILES: C1=CC(=C(C=C1COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2)F)F
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