CAS RN: 67227-52-5
CAS Name: acetic acid [4-acetyloxy-2,5-bis[bis(2-chloroethyl)amino]phenyl] ester
OPENEYE Name: [4-acetoxy-2,5-bis[bis(2-chloroethyl)amino]phenyl] acetate
IUPAC Name: [4-acetyloxy-2,5-bis[bis(2-chloroethyl)amino]phenyl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2,5-bis[bis(2-chloroethyl)amino]phenyl] ethanoate
MOLECULAR FORMULA: C18H24Cl4N2O4
MOLECULAR WEIGHT: 474.20616
SMILES: CC(=O)OC1=CC(=C(C=C1N(CCCl)CCCl)OC(=O)C)N(CCCl)CCCl
Structure:
CAS RN: 67227-48-9
CAS Name: N-[2-(4-hydroxyphenyl)propan-2-ylamino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[[1-(4-hydroxyphenyl)-1-methyl-ethyl]amino]carbamate
IUPAC Name: ethyl N-[2-(4-hydroxyphenyl)propan-2-ylamino]carbamate
SYSTEMATIC NAME: ethyl N-[2-(4-hydroxyphenyl)propan-2-ylamino]carbamate
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CCOC(=O)NNC(C)(C)C1=CC=C(C=C1)O
Structure:
CAS RN: 67227-32-1
CAS Name: 2-furancarboxylic acid 3-(2-methyl-1-piperidinyl)propyl ester hydrochloride
OPENEYE Name: 3-(2-methyl-1-piperidyl)propyl furan-2-carboxylate hydrochloride
IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate hydrochloride
SYSTEMATIC NAME: 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate hydrochloride
MOLECULAR FORMULA: C14H22ClNO3
MOLECULAR WEIGHT: 287.78238
SMILES: CC1CCCCN1CCCOC(=O)C2=CC=CO2.Cl
Structure:
CAS RN: 67227-29-6
CAS Name: formic acid [4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]cyclohexyl] ester
OPENEYE Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] formate
IUPAC Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] formate
SYSTEMATIC NAME: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] methanoate
MOLECULAR FORMULA: C10H16ClN3O4
MOLECULAR WEIGHT: 277.70474
SMILES: C1CC(CCC1NC(=O)N(CCCl)N=O)OC=O
Structure:
CAS RN: 67227-20-7
CAS Name: N-(2-hydrazinylethyl)aniline dihydrochloride
OPENEYE Name: N-(2-hydrazinoethyl)aniline dihydrochloride
IUPAC Name: N-(2-hydrazinylethyl)aniline dihydrochloride
SYSTEMATIC NAME: N-(2-diazanylethyl)aniline dihydrochloride
MOLECULAR FORMULA: C8H15Cl2N3
MOLECULAR WEIGHT: 224.1308
SMILES: C1=CC=C(C=C1)NCCNN.Cl.Cl
Structure:
CAS RN: 67227-00-3
CAS Name: 2-[2-(2-isoindolyl)ethyl]guanidine
OPENEYE Name: 2-(2-isoindol-2-ylethyl)guanidine
IUPAC Name: 2-(2-isoindol-2-ylethyl)guanidine
SYSTEMATIC NAME: 2-(2-isoindol-2-ylethyl)guanidine
MOLECULAR FORMULA: C11H14N4
MOLECULAR WEIGHT: 202.25566
SMILES: C1=CC2=CN(C=C2C=C1)CCN=C(N)N
Structure:
CAS RN: 67226-96-4
CAS Name: 1-(3-bromo-2-thiophenyl)-2-(propan-2-ylamino)ethanol
OPENEYE Name: 1-(3-bromo-2-thienyl)-2-(isopropylamino)ethanol
IUPAC Name: 1-(3-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SYSTEMATIC NAME: 1-(3-bromanylthiophen-2-yl)-2-(propan-2-ylamino)ethanol
MOLECULAR FORMULA: C9H14BrNOS
MOLECULAR WEIGHT: 264.18256
SMILES: CC(C)NCC(C1=C(C=CS1)Br)O
Structure:
CAS RN: 67226-94-2
CAS Name: 4-[(4S)-3-bicyclo[2.2.1]heptanyl]-N-(2-hydroxysulfonothioyloxyethyl)-1-butanamine
OPENEYE Name: N-(2-hydroxysulfonothioyloxyethyl)-4-[(1S)-norbornan-2-yl]butan-1-amine
IUPAC Name: 4-[(4S)-3-bicyclo[2.2.1]heptanyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine
SYSTEMATIC NAME: 4-[(4S)-3-bicyclo[2.2.1]heptanyl]-N-(2-oxidanylsulfonothioyloxyethyl)butan-1-amine
MOLECULAR FORMULA: C13H25NO3S2
MOLECULAR WEIGHT: 307.4725
SMILES: C1CC2C[C@H]1C(C2)CCCCNCCOS(=O)(=S)O
Structure:
CAS RN: 67226-92-0
CAS Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methyl-2-thiophenyl)-1-propanamine
OPENEYE Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methyl-2-thienyl)propan-1-amine
IUPAC Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methylthiophen-2-yl)propan-1-amine
SYSTEMATIC NAME: (2S)-2-(3-methylthiophen-2-yl)-N-(2-oxidanylsulfonothioyloxyethyl)propan-1-amine
MOLECULAR FORMULA: C10H17NO3S3
MOLECULAR WEIGHT: 295.44188
SMILES: CC1=C(SC=C1)[C@@H](C)CNCCOS(=O)(=S)O
Structure:
CAS RN: 67226-90-8
CAS Name: 5-bromo-1-chloro-3-methyl-2-[4-[2-(sulfothio)ethylamino]butyl]benzene
OPENEYE Name: 5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene
IUPAC Name: 5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene
SYSTEMATIC NAME: 5-bromanyl-1-chloranyl-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene
MOLECULAR FORMULA: C13H19BrClNO3S2
MOLECULAR WEIGHT: 416.78186
SMILES: CC1=CC(=CC(=C1CCCCNCCSS(=O)(=O)O)Cl)Br
Structure:
CAS RN: 67226-89-5
CAS Name: (3S)-N-(2-hydroxysulfonothioyloxyethyl)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanamine
OPENEYE Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-1,7,7-trimethyl-norbornan-2-amine
IUPAC Name: (3S)-N-(2-hydroxysulfonothioyloxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine
SYSTEMATIC NAME: (3S)-4,7,7-trimethyl-N-(2-oxidanylsulfonothioyloxyethyl)bicyclo[2.2.1]heptan-3-amine
MOLECULAR FORMULA: C12H23NO3S2
MOLECULAR WEIGHT: 293.44592
SMILES: CC1(C2CCC1([C@H](C2)NCCOS(=O)(=S)O)C)C
Structure:
CAS RN: 67226-88-4
CAS Name: 2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethanethiol hydrochloride
OPENEYE Name: 2-[(1,7,7-trimethylnorbornan-2-yl)amino]ethanethiol hydrochloride
IUPAC Name: 2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethanethiol hydrochloride
SYSTEMATIC NAME: 2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethanethiol hydrochloride
MOLECULAR FORMULA: C12H24ClNS
MOLECULAR WEIGHT: 249.84366
SMILES: CC1(C2CCC1(C(C2)NCCS)C)C.Cl
Structure:
CAS RN: 67226-86-2
CAS Name: thioarsorosoethane
OPENEYE Name: thioarsorosoethane
IUPAC Name: thioarsorosoethane
SYSTEMATIC NAME: thioarsorosoethane
MOLECULAR FORMULA: C2H5AsS
MOLECULAR WEIGHT: 136.0477
SMILES: CC[As]=S
Structure:
CAS RN: 67224-54-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44N2O4
MOLECULAR WEIGHT: 496.68136
SMILES: CC(C)C1=CC2CC3C1(CCC4C3(CCCC4C(=O)OC)C)C5C2C(=O)N(C5=O)CN6CCCCC6
Structure:
CAS RN: 67217-48-5
CAS Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(2-methyl-4-quinolinyl)guanidine
OPENEYE Name: 1-cyano-2-(1,1-dimethylpropyl)-3-(2-methyl-4-quinolyl)guanidine
IUPAC Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(2-methylquinolin-4-yl)guanidine
SYSTEMATIC NAME: 1-cyano-2-(2-methylbutan-2-yl)-3-(2-methylquinolin-4-yl)guanidine
MOLECULAR FORMULA: C17H21N5
MOLECULAR WEIGHT: 295.38214
SMILES: CCC(C)(C)N=C(NC#N)NC1=CC(=NC2=CC=CC=C21)C
Structure:
CAS RN: 67214-43-1
CAS Name: (3S,6S)-3-amino-6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-2-piperidinone
OPENEYE Name: (3S,6S)-3-amino-6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]piperidin-2-one
IUPAC Name: (3S,6S)-3-amino-6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]piperidin-2-one
SYSTEMATIC NAME: (3S,6S)-6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-azanyl-piperidin-2-one
MOLECULAR FORMULA: C15H21N7O4
MOLECULAR WEIGHT: 363.37174
SMILES: C1C[C@@H](C(=O)N[C@@H]1C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)N
Structure:
CAS RN: 67207-97-0
CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H10BrFN2O3
MOLECULAR WEIGHT: 329.121803
SMILES: COC1=C(C=C(C=C1)Br)CN2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 67207-96-9
CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H10BrFN2O3
MOLECULAR WEIGHT: 329.121803
SMILES: COC1=C(C=C(C=C1)CN2C=C(C(=O)NC2=O)F)Br
Structure:
CAS RN: 67207-95-8
CAS Name: 1-[(3-bromo-4-ethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(3-bromo-4-ethoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(3-bromo-4-ethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3-bromanyl-4-ethoxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H12BrFN2O3
MOLECULAR WEIGHT: 343.148383
SMILES: CCOC1=C(C=C(C=C1)CN2C=C(C(=O)NC2=O)F)Br
Structure:
CAS RN: 67207-94-7
CAS Name: 1-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(3-chloro-4-isopropoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H14ClFN2O3
MOLECULAR WEIGHT: 312.723963
SMILES: CC(C)OC1=C(C=C(C=C1)CN2C=C(C(=O)NC2=O)F)Cl
Structure:
CAS RN: 67207-93-6
CAS Name: 1-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(3-chloro-4-propoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3-chloranyl-4-propoxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H14ClFN2O3
MOLECULAR WEIGHT: 312.723963
SMILES: CCCOC1=C(C=C(C=C1)CN2C=C(C(=O)NC2=O)F)Cl
Structure:
CAS RN: 67207-92-5
CAS Name: 1-[(3-chloro-4-ethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(3-chloro-4-ethoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(3-chloro-4-ethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3-chloranyl-4-ethoxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H12ClFN2O3
MOLECULAR WEIGHT: 298.697383
SMILES: CCOC1=C(C=C(C=C1)CN2C=C(C(=O)NC2=O)F)Cl
Structure:
CAS RN: 67207-91-4
CAS Name: 1-[(3-chloro-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-[(3-chloro-4-methoxy-phenyl)methyl]-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-[(3-chloro-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H10ClFN2O3
MOLECULAR WEIGHT: 284.670803
SMILES: COC1=C(C=C(C=C1)CN2C=C(C(=O)NC2=O)F)Cl
Structure:
CAS RN: 67205-72-5
CAS Name: N-methylcarbamic acid (2,3,5-trichloro-4,6-dicyanophenyl) ester
OPENEYE Name: (2,3,5-trichloro-4,6-dicyano-phenyl) N-methylcarbamate
IUPAC Name: (2,3,5-trichloro-4,6-dicyanophenyl) N-methylcarbamate
SYSTEMATIC NAME: [2,3,5-tris(chloranyl)-4,6-dicyano-phenyl] N-methylcarbamate
MOLECULAR FORMULA: C10H4Cl3N3O2
MOLECULAR WEIGHT: 304.51666
SMILES: CNC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N
Structure:
CAS RN: 67205-71-4
CAS Name: 2,3,5-trifluoro-6-(4-hydroxyanilino)benzene-1,4-dicarbonitrile
OPENEYE Name: 2,3,5-trifluoro-6-(4-hydroxyanilino)terephthalonitrile
IUPAC Name: 2,3,5-trifluoro-6-(4-hydroxyanilino)benzene-1,4-dicarbonitrile
SYSTEMATIC NAME: 2,3,5-tris(fluoranyl)-6-[(4-hydroxyphenyl)amino]benzene-1,4-dicarbonitrile
MOLECULAR FORMULA: C14H6F3N3O
MOLECULAR WEIGHT: 289.21215
SMILES: C1=CC(=CC=C1NC2=C(C(=C(C(=C2F)C#N)F)F)C#N)O
Structure:
CAS RN: 67205-70-3
CAS Name: 2-(dipropylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
OPENEYE Name: 2-(dipropylamino)-3,5,6-trifluoro-terephthalonitrile
IUPAC Name: 2-(dipropylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
SYSTEMATIC NAME: 2-(dipropylamino)-3,5,6-tris(fluoranyl)benzene-1,4-dicarbonitrile
MOLECULAR FORMULA: C14H14F3N3
MOLECULAR WEIGHT: 281.27627
SMILES: CCCN(CCC)C1=C(C(=C(C(=C1F)C#N)F)F)C#N
Structure:
CAS RN: 67205-69-0
CAS Name: 2-(diethylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
OPENEYE Name: 2-(diethylamino)-3,5,6-trifluoro-terephthalonitrile
IUPAC Name: 2-(diethylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
SYSTEMATIC NAME: 2-(diethylamino)-3,5,6-tris(fluoranyl)benzene-1,4-dicarbonitrile
MOLECULAR FORMULA: C12H10F3N3
MOLECULAR WEIGHT: 253.22311
SMILES: CCN(CC)C1=C(C(=C(C(=C1F)C#N)F)F)C#N
Structure:
CAS RN: 67205-67-8
CAS Name: 2-(ethylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
OPENEYE Name: 2-(ethylamino)-3,5,6-trifluoro-terephthalonitrile
IUPAC Name: 2-(ethylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
SYSTEMATIC NAME: 2-(ethylamino)-3,5,6-tris(fluoranyl)benzene-1,4-dicarbonitrile
MOLECULAR FORMULA: C10H6F3N3
MOLECULAR WEIGHT: 225.16995
SMILES: CCNC1=C(C(=C(C(=C1F)C#N)F)F)C#N
Structure:
CAS RN: 67205-63-4
CAS Name: 2-phenylacetic acid (2,3,5,6-tetrachloro-4-cyanophenyl) ester
OPENEYE Name: (2,3,5,6-tetrachloro-4-cyano-phenyl) 2-phenylacetate
IUPAC Name: (2,3,5,6-tetrachloro-4-cyanophenyl) 2-phenylacetate
SYSTEMATIC NAME: [2,3,5,6-tetrakis(chloranyl)-4-cyano-phenyl] 2-phenylethanoate
MOLECULAR FORMULA: C15H7Cl4NO2
MOLECULAR WEIGHT: 375.03358
SMILES: C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)Cl
Structure:
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