CAS RN: 25396-74-1
CAS Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride
OPENEYE Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
IUPAC Name: 4-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C24H21Cl2FN5O2S+
MOLECULAR WEIGHT: 533.425243
SMILES: C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F
Structure:
CAS RN: 25288-45-3
CAS Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]-2-methylphenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methylphenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C25H24Cl2FN5O9S3
MOLECULAR WEIGHT: 724.585563
SMILES: CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)CNS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)F.OS(=O)(=O)O
Structure:
CAS RN: 26194-13-8
CAS Name: 4-[2-[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-[2-[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-[2-[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 4-[2-[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C26H25Cl2FN4O6S2
MOLECULAR WEIGHT: 643.534303
SMILES: C1=CC(=CC=C1CCC2=CC=C(C=C2)S(=O)(=O)F)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
Structure:
CAS RN: 24897-16-3
CAS Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]-3-methoxyphenyl]methylsulfamoyl]benzenesulfonyl fluoride
OPENEYE Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxy-phenyl]methylsulfamoyl]benzenesulfonyl fluoride
IUPAC Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxyphenyl]methylsulfamoyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-methoxy-phenyl]methylsulfamoyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C25H22Cl2FN5O6S2
MOLECULAR WEIGHT: 642.506483
SMILES: COC1=C(C=CC(=C1)CNS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)F)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 28519-53-1
CAS Name: 3-(methylsulfonylthio)-1-propanesulfonic acid
OPENEYE Name: 3-methylsulfonylsulfanylpropane-1-sulfonic acid
IUPAC Name: 3-methylsulfonylsulfanylpropane-1-sulfonic acid
SYSTEMATIC NAME: 3-methylsulfonylsulfanylpropane-1-sulfonic acid
MOLECULAR FORMULA: C4H10O5S3
MOLECULAR WEIGHT: 234.3142
SMILES: CS(=O)(=O)SCCCS(=O)(=O)O
Structure:
CAS RN: 31045-11-1
CAS Name: 1-methyl-2-oxaspiro[2.5]octane-1-carboxylic acid
OPENEYE Name: 1-methyl-2-oxaspiro[2.5]octane-1-carboxylic acid
IUPAC Name: 1-methyl-2-oxaspiro[2.5]octane-1-carboxylic acid
SYSTEMATIC NAME: 1-methyl-2-oxaspiro[2.5]octane-1-carboxylic acid
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CC1(C2(O1)CCCCC2)C(=O)O
Structure:
CAS RN: 61137-70-0
CAS Name: 2-amino-3-[[bis(4-methoxyphenyl)-phenylmethyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-[bis(4-methoxyphenyl)-phenyl-methyl]sulfanyl-propanoic acid
IUPAC Name: 2-amino-3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[bis(4-methoxyphenyl)-phenyl-methyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C24H25NO4S
MOLECULAR WEIGHT: 423.5246
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SCC(C(=O)O)N
Structure:
CAS RN: 27486-86-8
CAS Name: 2-amino-3-[(triphenylmethyl)thio]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-amino-3-tritylsulfanyl-propanoate
IUPAC Name: ethyl 2-amino-3-tritylsulfanylpropanoate
SYSTEMATIC NAME: ethyl 2-azanyl-3-(triphenylmethyl)sulfanyl-propanoate
MOLECULAR FORMULA: C24H25NO2S
MOLECULAR WEIGHT: 391.5258
SMILES: CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
Structure:
CAS RN: 50647-08-0
CAS Name: 2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid bis[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
IUPAC Name: bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
SYSTEMATIC NAME: bis[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-2,3-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
MOLECULAR FORMULA: C42H66O17
MOLECULAR WEIGHT: 842.96324
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C)C2C1)CO)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
Structure:
CAS RN: 15148-06-8
CAS Name: 2-amino-5-chloro-4-oxopentanoic acid
OPENEYE Name: 2-amino-5-chloro-4-oxo-pentanoic acid
IUPAC Name: 2-amino-5-chloro-4-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-chloranyl-4-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C5H8ClNO3
MOLECULAR WEIGHT: 165.57492
SMILES: C(C(C(=O)O)N)C(=O)CCl
Structure:
CAS RN: 25452-13-5
CAS Name: 4-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 4-[[3-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C25H24Cl2FN5O8S3
MOLECULAR WEIGHT: 708.586163
SMILES: C1=CC(=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)F)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
Structure:
CAS RN: 25288-22-6
CAS Name: 3-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 3-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 3-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 3-[[3-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C25H24Cl2FN5O8S3
MOLECULAR WEIGHT: 708.586163
SMILES: C1=CC(=CC(=C1)CNS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)F)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
Structure:
CAS RN: 24346-17-6
CAS Name: 4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]benzenesulfonyl fluoride
OPENEYE Name: 4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]benzenesulfonyl fluoride
IUPAC Name: 4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C18H15Cl2FN4O2S
MOLECULAR WEIGHT: 441.306703
SMILES: C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)F
Structure:
CAS RN: 2458-05-1
CAS Name: 3-methyl-2-(methylthio)-6-nitro-1,3-benzothiazol-3-ium; sulfuric acid methyl ester
OPENEYE Name: methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium
IUPAC Name: methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium
SYSTEMATIC NAME: methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium
MOLECULAR FORMULA: C10H13N2O6S3+
MOLECULAR WEIGHT: 353.41502
SMILES: C[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])SC.COS(=O)(=O)O
Structure:
CAS RN: 4387-11-5
CAS Name: 7,7-diethoxybicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile
OPENEYE Name: 7,7-diethoxybicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile
IUPAC Name: 7,7-diethoxybicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile
SYSTEMATIC NAME: 7,7-diethoxybicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile
MOLECULAR FORMULA: C15H14N4O2
MOLECULAR WEIGHT: 282.29726
SMILES: CCOC1(C2C=CC1C(C2(C#N)C#N)(C#N)C#N)OCC
Structure:
CAS RN: 4387-10-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: CCOC1(C2C=CC1C3C2C(=O)OC3=O)OCC
Structure:
CAS RN: 32846-64-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6Br2O2
MOLECULAR WEIGHT: 317.96144
SMILES: C1=CC2(C3C=C(C(=O)C3C1C2=O)Br)Br
Structure:
CAS RN: 20096-59-7
CAS Name: 5-[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methylamino]-oxomethyl]-2-methylbenzenesulfonyl fluoride
OPENEYE Name: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methyl-benzenesulfonyl fluoride
IUPAC Name: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride
SYSTEMATIC NAME: 5-[[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methyl-benzenesulfonyl fluoride
MOLECULAR FORMULA: C27H24Cl2FN5O3S
MOLECULAR WEIGHT: 588.480563
SMILES: CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F
Structure:
CAS RN: 20096-58-6
CAS Name: 4-chloro-3-[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methylamino]-oxomethyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-chloro-3-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-chloro-3-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 3-[[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-4-chloranyl-benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C26H23Cl3FN5O7S2
MOLECULAR WEIGHT: 706.977523
SMILES: C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=C(C=CC(=C4)S(=O)(=O)F)Cl.OS(=O)(=O)O
Structure:
CAS RN: 25329-53-7
CAS Name: 4-[[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]-2-methylphenyl]methylamino]-oxomethyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methylphenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C26H24Cl2FN5O8S2
MOLECULAR WEIGHT: 688.531863
SMILES: CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)F.OS(=O)(=O)O
Structure:
CAS RN: 25396-76-3
CAS Name: 4-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride
OPENEYE Name: 4-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
IUPAC Name: 4-[[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[3-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C24H21Cl2FN5O2S+
MOLECULAR WEIGHT: 533.425243
SMILES: C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)S(=O)(=O)F)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 6882-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20N2O6
MOLECULAR WEIGHT: 396.3933
SMILES: C1CN2C3C14C5C(C(C3)C(=O)C2=O)C(CC(=O)N5C6=CC=CC=C46)OCC(=O)O
Structure:
CAS RN: 25840-84-0
CAS Name: 2-amino-3-[[2-naphthalenyl(diphenyl)methyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-[2-naphthyl(diphenyl)methyl]sulfanyl-propanoic acid
IUPAC Name: 2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[naphthalen-2-yl(diphenyl)methyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C26H23NO2S
MOLECULAR WEIGHT: 413.53132
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC4=CC=CC=C4C=C3)SCC(C(=O)O)N
Structure:
CAS RN: 61137-66-4
CAS Name: 2-amino-3-[[(4-fluorophenyl)-diphenylmethyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-[(4-fluorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
IUPAC Name: 2-amino-3-[(4-fluorophenyl)-diphenylmethyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(4-fluorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C22H20FNO2S
MOLECULAR WEIGHT: 381.463103
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)SCC(C(=O)O)N
Structure:
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