Product OPENEYE NAME: 2-(4-cyclopropylsulfonylindazol-1-yl)-N-(5-fluorothiazol-2-yl)-3-tetrahydropyran-4-yl-propanamide
CAS Name: 2-(4-cyclopropylsulfonyl-1-indazolyl)-N-(5-fluoro-2-thiazolyl)-3-(4-oxanyl)propanamide
IUPAC NAME: 2-(4-cyclopropylsulfonylindazol-1-yl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SYSTEMATIC NAME: 2-(4-cyclopropylsulfonylindazol-1-yl)-N-(5-fluoranyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
MOLECULAR FORMULA: C21H23FN4O4S2
MOLECULAR WEIGHT: 478.560123
SMILES: C1CC1S(=O)(=O)C2=CC=CC3=C2C=NN3C(CC4CCOCC4)C(=O)NC5=NC=C(S5)F
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Product OPENEYE NAME: (6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-b]pyridin-1-one
CAS Name: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-4H-[2]benzopyrano[3,4-b]pyridin-1-one
IUPAC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-b]pyridin-1-one
SYSTEMATIC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-b]pyridin-1-one
MOLECULAR FORMULA: C24H39NO2
MOLECULAR WEIGHT: 373.57196
SMILES: CCCCCCC(C)(C)C1=CC(=O)C2=C(N1)OC([C@H]3[C@H]2C[C@@H](CC3)C)(C)C
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]tetrazol-2-yl]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]tetrazol-2-yl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C14H17N5O7
MOLECULAR WEIGHT: 367.31408
SMILES: C1=CC(=CC=C1CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)[O-]
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H23N5O5
MOLECULAR WEIGHT: 365.38432
SMILES: CN(C)C1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-chloro-4-ethoxy-phenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(2-chloro-4-ethoxyphenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-chloro-4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-chloranyl-4-ethoxy-phenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H21ClN4O6
MOLECULAR WEIGHT: 400.81414
SMILES: CCOC1=CC(=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluoro-phenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluorophenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluoranyl-phenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H21FN4O5
MOLECULAR WEIGHT: 368.360143
SMILES: CCC1=C(C=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)F
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Product OPENEYE NAME: [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl methyl carbonate
CAS Name: carbonic acid [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]-2-tetrazolyl]-3,4,5-trihydroxy-2-oxanyl]methyl methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-3,4,5-trihydroxyoxan-2-yl]methyl methyl carbonate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrazol-2-yl]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl methyl carbonate
MOLECULAR FORMULA: C18H24N4O8
MOLECULAR WEIGHT: 424.40516
SMILES: CCOC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O
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Product OPENEYE NAME: 3-(diaminomethylene)-1,1-dimethyl-guanidine; 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
CAS Name: 3-(diaminomethylidene)-1,1-dimethylguanidine; 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC NAME: 3-(diaminomethylidene)-1,1-dimethylguanidine; 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 5-[[4-[(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C28H38N6O5S
MOLECULAR WEIGHT: 570.70352
SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O.CN(C)C(=N)N=C(N)N
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Product OPENEYE NAME: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
CAS Name: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-(4-imidazolylidene)-1-propene-1,1-diolate
IUPAC NAME: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
SYSTEMATIC NAME: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
MOLECULAR FORMULA: C12H16N2O8Zn
MOLECULAR WEIGHT: 381.67304
SMILES: C\1=NC=N/C1=C\C=C([O-])[O-].C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O.[Zn+2]
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Product OPENEYE NAME: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
CAS Name: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-(4-imidazolylidene)-1-propene-1,1-diolate
IUPAC NAME: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
SYSTEMATIC NAME: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
MOLECULAR FORMULA: C12H16N2O8Zn
MOLECULAR WEIGHT: 381.67304
SMILES: C\1=NC=N/C1=C\C=C([O-])[O-].C([C@@H]1[C@@H]([C@@H]([C@@H](C(O1)O)O)O)O)O.[Zn+2]
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Product OPENEYE NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
MOLECULAR FORMULA: C12H18MoN2O8
MOLECULAR WEIGHT: 414.21992
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O.[Mo]
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Product OPENEYE NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
MOLECULAR FORMULA: C12H18MoN2O8
MOLECULAR WEIGHT: 414.21992
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O.[Mo]
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Product OPENEYE NAME: 2-hydroxytetradecanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: 2-hydroxytetradecanoic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: 2-hydroxytetradecanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; 2-oxidanyltetradecanoic acid
MOLECULAR FORMULA: C20H34MoN2O5
MOLECULAR WEIGHT: 478.43436
SMILES: CCCCCCCCCCCCC(C(=O)O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo]
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Product OPENEYE NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; pyridine-2-carboxylic acid
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum; 2-pyridinecarboxylic acid
IUPAC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; pyridine-2-carboxylic acid
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; pyridine-2-carboxylic acid
MOLECULAR FORMULA: C12H11MoN3O4
MOLECULAR WEIGHT: 357.17344
SMILES: C1=CC=NC(=C1)C(=O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo]
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Product OPENEYE NAME: zinc; 2-hydroxydecanoate; (Z,4Z)-4-imidazol-4-ylidenebut-2-en-2-olate
CAS Name: zinc; 2-hydroxydecanoate; (Z,4Z)-4-(4-imidazolylidene)-2-buten-2-olate
IUPAC NAME: zinc; 2-hydroxydecanoate; (Z,4Z)-4-imidazol-4-ylidenebut-2-en-2-olate
SYSTEMATIC NAME: zinc; (Z,4Z)-4-imidazol-4-ylidenebut-2-en-2-olate; 2-oxidanyldecanoate
MOLECULAR FORMULA: C17H26N2O4Zn
MOLECULAR WEIGHT: 387.80834
SMILES: CCCCCCCCC(C(=O)[O-])O.C/C(=C/C=C\1/C=NC=N1)/[O-].[Zn+2]
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Product OPENEYE NAME: 4-(1H-imidazol-5-yl)but-3-en-2-one
CAS Name: 4-(1H-imidazol-5-yl)-3-buten-2-one
IUPAC NAME: 4-(1H-imidazol-5-yl)but-3-en-2-one
SYSTEMATIC NAME: 4-(1H-imidazol-5-yl)but-3-en-2-one
MOLECULAR FORMULA: C7H8N2O
MOLECULAR WEIGHT: 136.15122
SMILES: CC(=O)C=CC1=CN=CN1
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[(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])OCC2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[[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])OCC2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 226.283209
SMILES: [2H]C1(C(OC(=O)N1[2H])C([2H])([2H])OC2=CC(=CC(=C2)C)C)[2H]
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