CAS RN: 57754-85-5
CAS Name: 2-aminoethanol; 3,6-dichloro-2-pyridinecarboxylic acid
OPENEYE Name: 2-aminoethanol; 3,6-dichloropyridine-2-carboxylic acid
IUPAC Name: 2-aminoethanol; 3,6-dichloropyridine-2-carboxylic acid
SYSTEMATIC NAME: 2-azanylethanol; 3,6-bis(chloranyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H10Cl2N2O3
MOLECULAR WEIGHT: 253.0826
SMILES: C1=CC(=NC(=C1Cl)C(=O)O)Cl.C(CO)N
Structure:
CAS RN: 57704-16-2
CAS Name: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-2-benzofuranyl]ethanol
OPENEYE Name: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)benzofuran-2-yl]ethanol
IUPAC Name: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
SYSTEMATIC NAME: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: CC(C1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O)O
Structure:
CAS RN: 7255-99-4
CAS Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
OPENEYE Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
IUPAC Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4H-imidazol-2-yl)urea
MOLECULAR FORMULA: C11H11ClN4O2
MOLECULAR WEIGHT: 266.68364
SMILES: CN1CC(=O)N=C1NC(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 7256-23-7
CAS Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
OPENEYE Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
IUPAC Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4H-imidazol-2-yl)urea
MOLECULAR FORMULA: C11H11ClN4O2
MOLECULAR WEIGHT: 266.68364
SMILES: CN1CC(=O)N=C1NC(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 57653-26-6
CAS Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
OPENEYE Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
IUPAC Name: 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4H-imidazol-2-yl)urea
MOLECULAR FORMULA: C11H11ClN4O2
MOLECULAR WEIGHT: 266.68364
SMILES: CN1CC(=O)N=C1NC(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 25252-96-4
CAS Name: 4-(1-oxoprop-2-enylamino)benzoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 4-(prop-2-enoylamino)benzoate
IUPAC Name: 2-(diethylamino)ethyl 4-(prop-2-enoylamino)benzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-(prop-2-enoylamino)benzoate
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C=C
Structure:
CAS RN: 57444-60-7
CAS Name: (3aR,6aS,7R,8R,10R,10aR,10bS)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(1-methylethenyl)-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
OPENEYE Name: (3aR,6aS,7R,8R,10R,10aR,10bS)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethyl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
IUPAC Name: (3aR,6aS,7R,8R,10R,10aR,10bS)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
SYSTEMATIC NAME: (3aR,6aS,7R,8R,10R,10aR,10bS)-5-(hydroxymethyl)-2,10-dimethyl-3a,7,8,10a-tetrakis(oxidanyl)-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: C[C@@H]1C[C@]([C@@H]([C@H]2[C@]1([C@@H]3C=C(C(=O)[C@]3(CC(=C2)CO)O)C)O)O)(C(=C)C)O
Structure:
CAS RN: 63684-46-8
CAS Name: (3aR,6aS,7R,8R,10R,10aR,10bS)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(1-methylethenyl)-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
OPENEYE Name: (3aR,6aS,7R,8R,10R,10aR,10bS)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethyl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
IUPAC Name: (3aR,6aS,7R,8R,10R,10aR,10bS)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
SYSTEMATIC NAME: (3aR,6aS,7R,8R,10R,10aR,10bS)-5-(hydroxymethyl)-2,10-dimethyl-3a,7,8,10a-tetrakis(oxidanyl)-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-3-one
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: C[C@@H]1C[C@]([C@@H]([C@H]2[C@]1([C@@H]3C=C(C(=O)[C@]3(CC(=C2)CO)O)C)O)O)(C(=C)C)O
Structure:
CAS RN: 57420-46-9
CAS Name: (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-5-oxidanyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C19H28O12
MOLECULAR WEIGHT: 448.41842
SMILES: CC(=O)O[C@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C
Structure:
CAS RN: 57383-74-1
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C26H33N7O5
MOLECULAR WEIGHT: 523.58412
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2
Structure:
CAS RN: 63680-77-3
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C26H33N7O5
MOLECULAR WEIGHT: 523.58412
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2
Structure:
CAS RN: 63680-78-4
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C26H33N7O5
MOLECULAR WEIGHT: 523.58412
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2
Structure:
CAS RN: 63680-29-5
CAS Name: 1-(2,3-dichlorophenoxy)-4-(propan-2-ylamino)-2-butanol
OPENEYE Name: 1-(2,3-dichlorophenoxy)-4-(isopropylamino)butan-2-ol
IUPAC Name: 1-(2,3-dichlorophenoxy)-4-(propan-2-ylamino)butan-2-ol
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)phenoxy]-4-(propan-2-ylamino)butan-2-ol
MOLECULAR FORMULA: C13H19Cl2NO2
MOLECULAR WEIGHT: 292.20146
SMILES: CC(C)NCCC(COC1=C(C(=CC=C1)Cl)Cl)O
Structure:
CAS RN: 63680-30-8
CAS Name: 1-(2,3-dichlorophenoxy)-4-(propan-2-ylamino)-2-butanol
OPENEYE Name: 1-(2,3-dichlorophenoxy)-4-(isopropylamino)butan-2-ol
IUPAC Name: 1-(2,3-dichlorophenoxy)-4-(propan-2-ylamino)butan-2-ol
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)phenoxy]-4-(propan-2-ylamino)butan-2-ol
MOLECULAR FORMULA: C13H19Cl2NO2
MOLECULAR WEIGHT: 292.20146
SMILES: CC(C)NCCC(COC1=C(C(=CC=C1)Cl)Cl)O
Structure:
CAS RN: 63680-27-3
CAS Name: 1-(1-naphthalenyloxy)-4-(propan-2-ylamino)-2-butanol
OPENEYE Name: 4-(isopropylamino)-1-(1-naphthyloxy)butan-2-ol
IUPAC Name: 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol
SYSTEMATIC NAME: 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CC(C)NCCC(COC1=CC=CC2=CC=CC=C21)O
Structure:
CAS RN: 63680-28-4
CAS Name: 1-(1-naphthalenyloxy)-4-(propan-2-ylamino)-2-butanol
OPENEYE Name: 4-(isopropylamino)-1-(1-naphthyloxy)butan-2-ol
IUPAC Name: 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol
SYSTEMATIC NAME: 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CC(C)NCCC(COC1=CC=CC2=CC=CC=C21)O
Structure:
CAS RN: 57103-57-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC[C@@]4([C@H]3OC5=C4C=CC(=C5)O)O)C
Structure:
CAS RN: 6364-19-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC[C@@]4([C@H]3OC5=C4C=CC(=C5)O)O)C
Structure:
CAS RN: 63609-87-0
CAS Name: ammonia; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
OPENEYE Name: ammonia; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
IUPAC Name: azane; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: azane; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C6H23N3O12P4
MOLECULAR WEIGHT: 453.154764
SMILES: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.N
Structure:
CAS RN: 63610-06-0
CAS Name: ammonia; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
OPENEYE Name: ammonia; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
IUPAC Name: azane; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: azane; [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C6H23N3O12P4
MOLECULAR WEIGHT: 453.154764
SMILES: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.N
Structure:
CAS RN: 41710-00-3
CAS Name: sodium [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
OPENEYE Name: sodium [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
IUPAC Name: sodium [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: sodium [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C10H28N2NaO12P4+
MOLECULAR WEIGHT: 515.220334
SMILES: C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O.[Na+]
Structure:
CAS RN: 20261-59-0
CAS Name: 2-aminoethanol; sulfuric acid
OPENEYE Name: 2-aminoethanol; sulfuric acid
IUPAC Name: 2-aminoethanol; sulfuric acid
SYSTEMATIC NAME: 2-azanylethanol; sulfuric acid
MOLECULAR FORMULA: C2H9NO5S
MOLECULAR WEIGHT: 159.16156
SMILES: C(CO)N.OS(=O)(=O)O
Structure:
CAS RN: 30933-06-3
CAS Name: 2-aminoethanol; sulfuric acid
OPENEYE Name: 2-aminoethanol; sulfuric acid
IUPAC Name: 2-aminoethanol; sulfuric acid
SYSTEMATIC NAME: 2-azanylethanol; sulfuric acid
MOLECULAR FORMULA: C2H9NO5S
MOLECULAR WEIGHT: 159.16156
SMILES: C(CO)N.OS(=O)(=O)O
Structure:
CAS RN: 56633-27-3
CAS Name: 2-aminoethanol; sulfuric acid
OPENEYE Name: 2-aminoethanol; sulfuric acid
IUPAC Name: 2-aminoethanol; sulfuric acid
SYSTEMATIC NAME: 2-azanylethanol; sulfuric acid
MOLECULAR FORMULA: C2H9NO5S
MOLECULAR WEIGHT: 159.16156
SMILES: C(CO)N.OS(=O)(=O)O
Structure:
CAS RN: 58243-84-8
CAS Name: butanedioic acid bis[2-(1-quinolin-1-iumyl)ethyl] ester diiodide
OPENEYE Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide
IUPAC Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide
SYSTEMATIC NAME: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide
MOLECULAR FORMULA: C26H26I2N2O4
MOLECULAR WEIGHT: 684.30458
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CCOC(=O)CCC(=O)OCC[N+]3=CC=CC4=CC=CC=C43.[I-].[I-]
Structure:
CAS RN: 58243-88-2
CAS Name: butanedioic acid bis[2-(1-quinolin-1-iumyl)ethyl] ester diiodide
OPENEYE Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide
IUPAC Name: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide
SYSTEMATIC NAME: bis(2-quinolin-1-ium-1-ylethyl) butanedioate diiodide
MOLECULAR FORMULA: C26H26I2N2O4
MOLECULAR WEIGHT: 684.30458
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CCOC(=O)CCC(=O)OCC[N+]3=CC=CC4=CC=CC=C43.[I-].[I-]
Structure:
CAS RN: 56219-74-0
CAS Name: 4-[2-(2,2-dimethyl-1-oxopropoxy)butoxy]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)butoxy]benzoate
IUPAC Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)butoxy]benzoate
SYSTEMATIC NAME: ethyl 4-[2-(2,2-dimethylpropanoyloxy)butoxy]benzoate
MOLECULAR FORMULA: C18H26O5
MOLECULAR WEIGHT: 322.39604
SMILES: CCC(COC1=CC=C(C=C1)C(=O)OCC)OC(=O)C(C)(C)C
Structure:
CAS RN: 69522-82-3
CAS Name: 4-[2-(2,2-dimethyl-1-oxopropoxy)butoxy]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)butoxy]benzoate
IUPAC Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)butoxy]benzoate
SYSTEMATIC NAME: ethyl 4-[2-(2,2-dimethylpropanoyloxy)butoxy]benzoate
MOLECULAR FORMULA: C18H26O5
MOLECULAR WEIGHT: 322.39604
SMILES: CCC(COC1=CC=C(C=C1)C(=O)OCC)OC(=O)C(C)(C)C
Structure:
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