CAS RN: 372519-57-8
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 376628-34-1
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 74339-98-3
CAS Name: 1-(3,4-dihydroxyphenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(3,4-dihydroxyphenyl)pyrrole-2,5-dione
IUPAC Name: 1-(3,4-dihydroxyphenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[3,4-bis(oxidanyl)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: C1=CC(=C(C=C1N2C(=O)C=CC2=O)O)O
Structure:
CAS RN: 71351-65-0
CAS Name: 2-[4-(3-methoxy-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one trihydrochloride
OPENEYE Name: 2-[4-(3-methoxy-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one trihydrochloride
IUPAC Name: 2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one trihydrochloride
SYSTEMATIC NAME: 2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one trihydrochloride
MOLECULAR FORMULA: C21H28Cl3N5O2
MOLECULAR WEIGHT: 488.83832
SMILES: CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=C(C=CC=N3)OC.Cl.Cl.Cl
Structure:
CAS RN: 15514-06-4
CAS Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 20315-25-7
CAS Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 35356-34-4
CAS Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 71328-22-8
CAS Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 71277-80-0
CAS Name: sulfurous acid diethylamino ester
OPENEYE Name: diethylamino hydrogen sulfite
IUPAC Name: diethylamino hydrogen sulfite
SYSTEMATIC NAME: diethylamino hydrogen sulfite
MOLECULAR FORMULA: C4H11NO3S
MOLECULAR WEIGHT: 153.20004
SMILES: CCN(CC)OS(=O)O
Structure:
CAS RN: 80496-55-5
CAS Name: sulfurous acid diethylamino ester
OPENEYE Name: diethylamino hydrogen sulfite
IUPAC Name: diethylamino hydrogen sulfite
SYSTEMATIC NAME: diethylamino hydrogen sulfite
MOLECULAR FORMULA: C4H11NO3S
MOLECULAR WEIGHT: 153.20004
SMILES: CCN(CC)OS(=O)O
Structure:
CAS RN: 71267-12-4
CAS Name: 2,4,6-trimethyl-5-pyrimidinol
OPENEYE Name: 2,4,6-trimethylpyrimidin-5-ol
IUPAC Name: 2,4,6-trimethylpyrimidin-5-ol
SYSTEMATIC NAME: 2,4,6-trimethylpyrimidin-5-ol
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=C(C(=NC(=N1)C)C)O
Structure:
CAS RN: 71258-95-2
CAS Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
IUPAC Name: naphthalen-1-yl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
SYSTEMATIC NAME: naphthalen-1-yl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C21H19NO4
MOLECULAR WEIGHT: 349.37986
SMILES: CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 71222-21-4
CAS Name: 2-(4-hydroxy-3-nitrophenyl)-2-oxoacetaldehyde
OPENEYE Name: 2-(4-hydroxy-3-nitro-phenyl)-2-oxo-acetaldehyde
IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C8H5NO5
MOLECULAR WEIGHT: 195.129
SMILES: C1=CC(=C(C=C1C(=O)C=O)[N+](=O)[O-])O
Structure:
CAS RN: 71239-65-1
CAS Name: (3aS,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
OPENEYE Name: (3aS,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
IUPAC Name: (3aS,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SYSTEMATIC NAME: (3aS,8bR)-6-bromanyl-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
MOLECULAR FORMULA: C21H29BrN2
MOLECULAR WEIGHT: 389.37236
SMILES: CC(=CC[C@]12CCN([C@H]1N(C3=C2C=CC(=C3)Br)CC=C(C)C)C)C
Structure:
CAS RN: 71239-64-0
CAS Name: (3aS,8bS)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
OPENEYE Name: (3aS,8bS)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
IUPAC Name: (3aS,8bS)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SYSTEMATIC NAME: (3aS,8bS)-6-bromanyl-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
MOLECULAR FORMULA: C21H29BrN2
MOLECULAR WEIGHT: 389.37236
SMILES: CC(=CCN1[C@H]2[C@](CCN2C)(C3=C1C=C(C=C3)Br)C(C)(C)C=C)C
Structure:
CAS RN: 56911-35-4
CAS Name: 2-[3-(2-chlorophenoxy)phenyl]propanoic acid
OPENEYE Name: 2-[3-(2-chlorophenoxy)phenyl]propanoic acid
IUPAC Name: 2-[3-(2-chlorophenoxy)phenyl]propanoic acid
SYSTEMATIC NAME: 2-[3-(2-chloranylphenoxy)phenyl]propanoic acid
MOLECULAR FORMULA: C15H13ClO3
MOLECULAR WEIGHT: 276.71492
SMILES: CC(C1=CC(=CC=C1)OC2=CC=CC=C2Cl)C(=O)O
Structure:
CAS RN: 71236-10-7
CAS Name: 2-[3-(2-chlorophenoxy)phenyl]propanoic acid
OPENEYE Name: 2-[3-(2-chlorophenoxy)phenyl]propanoic acid
IUPAC Name: 2-[3-(2-chlorophenoxy)phenyl]propanoic acid
SYSTEMATIC NAME: 2-[3-(2-chloranylphenoxy)phenyl]propanoic acid
MOLECULAR FORMULA: C15H13ClO3
MOLECULAR WEIGHT: 276.71492
SMILES: CC(C1=CC(=CC=C1)OC2=CC=CC=C2Cl)C(=O)O
Structure:
CAS RN: 71233-27-7
CAS Name: 4,5,6,7-tetrahydro-1H-isoxazolo[3,4-c]pyridin-3-one
OPENEYE Name: 4,5,6,7-tetrahydro-1H-isoxazolo[3,4-c]pyridin-3-one
IUPAC Name: 4,5,6,7-tetrahydro-1H-[1,2]oxazolo[3,4-c]pyridin-3-one
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-1H-[1,2]oxazolo[3,4-c]pyridin-3-one
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: C1CNCC2=C1C(=O)ON2
Structure:
CAS RN: 67577-23-5
CAS Name: 2,2-dimethylpropanoic acid [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] ester
OPENEYE Name: [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
IUPAC Name: [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [3-[2-(methylamino)-1-oxidanyl-ethyl]phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CC(C)(C)C(=O)OC1=CC=CC(=C1)C(CNC)O
Structure:
CAS RN: 71206-88-7
CAS Name: 2,2-dimethylpropanoic acid [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] ester
OPENEYE Name: [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
IUPAC Name: [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [3-[2-(methylamino)-1-oxidanyl-ethyl]phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CC(C)(C)C(=O)OC1=CC=CC(=C1)C(CNC)O
Structure:
CAS RN: 7400-97-7
CAS Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-propanamine hydrochloride
OPENEYE Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride
IUPAC Name: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C12H18ClNO2
MOLECULAR WEIGHT: 243.72982
SMILES: CC(CC1=CC2=C(C=C1)OC(O2)(C)C)N.Cl
Structure:
CAS RN: 7400-96-6
CAS Name: 1-(2-methyl-1,3-benzodioxol-5-yl)-2-propanamine hydrochloride
OPENEYE Name: 1-(2-methyl-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride
IUPAC Name: 1-(2-methyl-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(2-methyl-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C11H16ClNO2
MOLECULAR WEIGHT: 229.70324
SMILES: CC1OC2=C(O1)C=C(C=C2)CC(C)N.Cl
Structure:
CAS RN: 125776-03-6
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[2-hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-ethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C32H54O13
MOLECULAR WEIGHT: 646.76336
SMILES: CC1(C2CCC3=CC(CCC3C2(CCC1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)(C)C(CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C
Structure:
CAS RN: 125769-47-3
CAS Name: 2-acetyl-7-(2-hydroxy-1-oxoethyl)-9-xanthenone
OPENEYE Name: 2-acetyl-7-(2-hydroxyacetyl)xanthen-9-one
IUPAC Name: 2-acetyl-7-(2-hydroxyacetyl)xanthen-9-one
SYSTEMATIC NAME: 2-ethanoyl-7-(2-oxidanylethanoyl)xanthen-9-one
MOLECULAR FORMULA: C17H12O5
MOLECULAR WEIGHT: 296.27418
SMILES: CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)CO
Structure:
CAS RN: 125768-67-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H35NO
MOLECULAR WEIGHT: 317.5087
SMILES: CC1C(CC2=C(C3C(CC12C=C(C3O)C(C)C)CN)C)C(C)C
Structure:
CAS RN: 125762-03-0
CAS Name: acetic acid [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester hydrochloride
OPENEYE Name: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate hydrochloride
IUPAC Name: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C24H28ClF3N2O4
MOLECULAR WEIGHT: 500.93833
SMILES: CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(F)(F)F)C3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 125761-52-6
CAS Name: 3-(1-hydroxyheptyl)-4-(hydroxymethyl)-2-oxolanone
OPENEYE Name: 3-(1-hydroxyheptyl)-4-(hydroxymethyl)tetrahydrofuran-2-one
IUPAC Name: 3-(1-hydroxyheptyl)-4-(hydroxymethyl)oxolan-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-3-(1-oxidanylheptyl)oxolan-2-one
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CCCCCCC(C1C(COC1=O)CO)O
Structure:
CAS RN: 125757-85-9
CAS Name: (2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]amino]-1-oxohexyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-6-azanyl-2-[[(2R)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C30H39N5O6
MOLECULAR WEIGHT: 565.66056
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC3=CC=CC=C3)O
Structure:
CAS RN: 125746-78-3
CAS Name: N-[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-2-furanyl]-5-formamido-2-furancarboxamide hydrochloride
OPENEYE Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-2-furyl]-5-formamido-furan-2-carboxamide hydrochloride
IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]furan-2-yl]-5-formamidofuran-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]furan-2-yl]-5-formamido-furan-2-carboxamide hydrochloride
MOLECULAR FORMULA: C14H16ClN5O5
MOLECULAR WEIGHT: 369.76034
SMILES: C1=C(OC(=C1)NC=O)C(=O)NC2=CC=C(O2)C(=O)NCCC(=N)N.Cl
Structure:
CAS RN: 125741-45-9
CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-4-(methylthio)-1-oxobutyl]-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-
OPENEYE Name: (4S)-4-amino-5-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-2-oxo-ethyl]amino
IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenyl
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]ami
MOLECULAR FORMULA: C45H65N7O13S
MOLECULAR WEIGHT: 944.1017
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)N)NC(=O)[C@@H]4CCCN4
Structure:
CAS RN: 125730-74-7
CAS Name: 1,3,5-tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane
OPENEYE Name: 1,3,5-tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane
IUPAC Name: 1,3,5-tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane
SYSTEMATIC NAME: 1,3,5-tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane
MOLECULAR FORMULA: C36H51N3O9
MOLECULAR WEIGHT: 669.80484
SMILES: COC1=CC(=CC(=C1OC)OC)CCN2CN(CN(C2)CCC3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC(=C(C(=C4)OC)OC)OC
Structure:
CAS RN: 125729-46-6
CAS Name: (3,5-dibromo-4-hydroxyphenyl)-[2-(1-hydroxyethyl)-3-benzofuranyl]methanone
OPENEYE Name: (3,5-dibromo-4-hydroxy-phenyl)-[2-(1-hydroxyethyl)benzofuran-3-yl]methanone
IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-[2-(1-hydroxyethyl)-1-benzofuran-3-yl]methanone
SYSTEMATIC NAME: [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-[2-(1-hydroxyethyl)-1-benzofuran-3-yl]methanone
MOLECULAR FORMULA: C17H12Br2O4
MOLECULAR WEIGHT: 440.08278
SMILES: CC(C1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br)O
Structure:
CAS RN: 107812-58-8
CAS Name: 4-methoxybenzoic acid [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] ester
OPENEYE Name: [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] 4-methoxybenzoate
IUPAC Name: [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] 4-methoxybenzoate
SYSTEMATIC NAME: [(1aR,2S,4aR,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-7-oxidanyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] 4-methoxybenzoate
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: C[C@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)[C@H](CC2=C)OC(=O)C4=CC=C(C=C4)OC)O
Structure:
CAS RN: 107811-54-1
CAS Name: 5-(3-aminophenyl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: 5-(3-aminophenyl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
IUPAC Name: 5-(3-aminophenyl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: 5-(3-aminophenyl)-8-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
MOLECULAR FORMULA: C17H19ClN2O
MOLECULAR WEIGHT: 302.79856
SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)N)O)Cl
Structure:
CAS RN: 103579-36-8
CAS Name: N-[2-[2-[dimethyl(phenyl)silyl]ethylthio]ethyl]-5-fluoro-2,4-dioxo-1-pyrimidinecarboxamide
OPENEYE Name: N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxo-pyrimidine-1-carboxamide
IUPAC Name: N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SYSTEMATIC NAME: N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoranyl-2,4-bis(oxidanylidene)pyrimidine-1-carboxamide
MOLECULAR FORMULA: C17H22FN3O3SSi
MOLECULAR WEIGHT: 395.523783
SMILES: C[Si](C)(CCSCCNC(=O)N1C=C(C(=O)NC1=O)F)C2=CC=CC=C2
Structure:
CAS RN: 103579-42-6
CAS Name: N-[2-[2-[dimethyl(phenyl)silyl]ethylthio]ethyl]-5-fluoro-2,4-dioxo-1-pyrimidinecarboxamide
OPENEYE Name: N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxo-pyrimidine-1-carboxamide
IUPAC Name: N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SYSTEMATIC NAME: N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoranyl-2,4-bis(oxidanylidene)pyrimidine-1-carboxamide
MOLECULAR FORMULA: C17H22FN3O3SSi
MOLECULAR WEIGHT: 395.523783
SMILES: C[Si](C)(CCSCCNC(=O)N1C=C(C(=O)NC1=O)F)C2=CC=CC=C2
Structure:
CAS RN: 103523-24-6
CAS Name: 2-[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]-1-[[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
OPENEYE Name: 2-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-1-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,8-dihydroxy-3-methyl-benzo[a]anthracene-7,12-dione
IUPAC Name: 2-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 2-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]-1-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methyl-6,8-bis(oxidanyl)benzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C35H42N2O9
MOLECULAR WEIGHT: 634.71598
SMILES: CC1C(C(CC(O1)C2=C(C=C3C=C(C4=C(C3=C2OC5CC(C(C(O5)C)O)N(C)C)C(=O)C6=C(C4=O)C(=CC=C6)O)O)C)N(C)C)O
Structure:
CAS RN: 103618-16-2
CAS Name: 2-[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]-1-[[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
OPENEYE Name: 2-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-1-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,8-dihydroxy-3-methyl-benzo[a]anthracene-7,12-dione
IUPAC Name: 2-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 2-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]-1-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methyl-6,8-bis(oxidanyl)benzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C35H42N2O9
MOLECULAR WEIGHT: 634.71598
SMILES: CC1C(C(CC(O1)C2=C(C=C3C=C(C4=C(C3=C2OC5CC(C(C(O5)C)O)N(C)C)C(=O)C6=C(C4=O)C(=CC=C6)O)O)C)N(C)C)O
Structure:
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