Product OPENEYE NAME: (2S,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol
CAS Name: (2S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
IUPAC NAME: (2S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
SYSTEMATIC NAME: (2S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
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Product OPENEYE NAME: (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
CAS Name: (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S,4R)-1-methyl-N-[(1S)-1-[(3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propyl]-4-propyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C18H34N2O6S
MOLECULAR WEIGHT: 406.53736
SMILES: CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@H](C2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)O
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Product OPENEYE NAME: (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
CAS Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
IUPAC NAME: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C15H14O6
MOLECULAR WEIGHT: 290.26806
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
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Product OPENEYE NAME: 2-amino-1-phenyl-propan-1-ol hydrochloride
CAS Name: 2-amino-1-phenyl-1-propanol hydrochloride
IUPAC NAME: 2-amino-1-phenylpropan-1-ol hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-phenyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C9H14ClNO
MOLECULAR WEIGHT: 187.66656
SMILES: CC(C(C1=CC=CC=C1)O)N.Cl
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Product OPENEYE NAME: N'-benzyl-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine hydrochloride
CAS Name: N,N-dimethyl-N'-(phenylmethyl)-N'-(2-pyridinyl)ethane-1,2-diamine hydrochloride
IUPAC NAME: N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-N'-(phenylmethyl)-N'-pyridin-2-yl-ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C16H22ClN3
MOLECULAR WEIGHT: 291.81898
SMILES: CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl
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Product OPENEYE NAME: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride
CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate chloride
IUPAC NAME: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride
SYSTEMATIC NAME: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride
MOLECULAR FORMULA: C12H19ClN4O7P2S
MOLECULAR WEIGHT: 460.767382
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)ethylhydrazine; sulfuric acid
CAS Name: 2-(2,4-dimethylphenyl)ethylhydrazine; sulfuric acid
IUPAC NAME: 2-(2,4-dimethylphenyl)ethylhydrazine; sulfuric acid
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)ethyldiazane; sulfuric acid
MOLECULAR FORMULA: C10H18N2O4S
MOLECULAR WEIGHT: 262.32592
SMILES: CC1=CC(=C(C=C1)CCNN)C.OS(=O)(=O)O
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)ethylhydrazine
CAS Name: 2-(2,4-dimethylphenyl)ethylhydrazine
IUPAC NAME: 2-(2,4-dimethylphenyl)ethylhydrazine
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)ethyldiazane
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CC1=CC(=C(C=C1)CCNN)C
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Product OPENEYE NAME: zinc 1,3-benzothiazole-2-thiolate
CAS Name: zinc 1,3-benzothiazole-2-thiolate
IUPAC NAME: zinc 1,3-benzothiazole-2-thiolate
SYSTEMATIC NAME: zinc 1,3-benzothiazole-2-thiolate
MOLECULAR FORMULA: C14H8N2S4Zn
MOLECULAR WEIGHT: 397.89572
SMILES: C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24BrNO4
MOLECULAR WEIGHT: 398.29146
SMILES: C[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24NO4+
MOLECULAR WEIGHT: 318.38746
SMILES: C[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C
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Product OPENEYE NAME: 4-nitroso-N-phenyl-aniline
CAS Name: 4-nitroso-N-phenylaniline
IUPAC NAME: 4-nitroso-N-phenylaniline
SYSTEMATIC NAME: 4-nitroso-N-phenyl-aniline
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O
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Product OPENEYE NAME: 2-phenylethanamine hydrochloride
CAS Name: 2-phenylethanamine hydrochloride
IUPAC NAME: 2-phenylethanamine hydrochloride
SYSTEMATIC NAME: 2-phenylethanamine hydrochloride
MOLECULAR FORMULA: C8H12ClN
MOLECULAR WEIGHT: 157.64058
SMILES: C1=CC=C(C=C1)CCN.Cl
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Product OPENEYE NAME: 4-ethoxyaniline
CAS Name: 4-ethoxyaniline
IUPAC NAME: 4-ethoxyaniline
SYSTEMATIC NAME: 4-ethoxyaniline
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CCOC1=CC=C(C=C1)N
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Product OPENEYE NAME: 1-(5-nitro-2-furyl)-N-phenyl-methanimine
CAS Name: 1-(5-nitro-2-furanyl)-N-phenylmethanimine
IUPAC NAME: 1-(5-nitrofuran-2-yl)-N-phenylmethanimine
SYSTEMATIC NAME: 1-(5-nitrofuran-2-yl)-N-phenyl-methanimine
MOLECULAR FORMULA: C11H8N2O3
MOLECULAR WEIGHT: 216.19282
SMILES: C1=CC=C(C=C1)N=CC2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: hydrogen sulfate; [2-(p-tolyl)ethylamino]ammonium
CAS Name: hydrogen sulfate; [2-(4-methylphenyl)ethylamino]ammonium
IUPAC NAME: hydrogen sulfate; [2-(4-methylphenyl)ethylamino]azanium
SYSTEMATIC NAME: hydrogen sulfate; [2-(4-methylphenyl)ethylamino]azanium
MOLECULAR FORMULA: C9H16N2O4S
MOLECULAR WEIGHT: 248.29934
SMILES: CC1=CC=C(C=C1)CCN[NH3+].OS(=O)(=O)[O-]
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Product OPENEYE NAME: 2-(p-tolyl)ethylhydrazine
CAS Name: 2-(4-methylphenyl)ethylhydrazine
IUPAC NAME: 2-(4-methylphenyl)ethylhydrazine
SYSTEMATIC NAME: 2-(4-methylphenyl)ethyldiazane
MOLECULAR FORMULA: C9H14N2
MOLECULAR WEIGHT: 150.22086
SMILES: CC1=CC=C(C=C1)CCNN
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Product OPENEYE NAME: 2-amino-3-(2-methylenecyclopropyl)propanoic acid
CAS Name: 2-amino-3-(2-methylenecyclopropyl)propanoic acid
IUPAC NAME: 2-amino-3-(2-methylidenecyclopropyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(2-methylidenecyclopropyl)propanoic acid
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: C=C1CC1CC(C(=O)O)N
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Product OPENEYE NAME: 2-aminoethanethiol hydrochloride
CAS Name: 2-aminoethanethiol hydrochloride
IUPAC NAME: 2-aminoethanethiol hydrochloride
SYSTEMATIC NAME: 2-azanylethanethiol hydrochloride
MOLECULAR FORMULA: C2H8ClNS
MOLECULAR WEIGHT: 113.60962
SMILES: C(CS)N.Cl
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Product OPENEYE NAME: methylsulfonyloxymethyl methanesulfonate
CAS Name: methanesulfonic acid methylsulfonyloxymethyl ester
IUPAC NAME: methylsulfonyloxymethyl methanesulfonate
SYSTEMATIC NAME: methylsulfonyloxymethyl methanesulfonate
MOLECULAR FORMULA: C3H8O6S2
MOLECULAR WEIGHT: 204.22202
SMILES: CS(=O)(=O)OCOS(=O)(=O)C
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Product OPENEYE NAME: propanedioate
CAS Name: propanedioate
IUPAC NAME: propanedioate
SYSTEMATIC NAME: propanedioate
MOLECULAR FORMULA: C3H2O4-2
MOLECULAR WEIGHT: 102.04558
SMILES: C(C(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: (2S)-2-amino-6-guanidino-hexanoic acid
CAS Name: (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
IUPAC NAME: (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-6-[bis(azanyl)methylideneamino]hexanoic acid
MOLECULAR FORMULA: C7H16N4O2
MOLECULAR WEIGHT: 188.22754
SMILES: C(CCN=C(N)N)C[C@@H](C(=O)O)N
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Product OPENEYE NAME: 3-aminopropan-1-ol
CAS Name: 3-amino-1-propanol
IUPAC NAME: 3-aminopropan-1-ol
SYSTEMATIC NAME: 3-azanylpropan-1-ol
MOLECULAR FORMULA: C3H9NO
MOLECULAR WEIGHT: 75.10966
SMILES: C(CN)CO
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