Friday, July 27, 2012

http://ChemLookup.com Compounds




CAS RN: 41864-45-3
CAS Name: 4,5-dimethoxy-2-methylaniline
OPENEYE Name: 4,5-dimethoxy-2-methyl-aniline
IUPAC Name: 4,5-dimethoxy-2-methylaniline
SYSTEMATIC NAME: 4,5-dimethoxy-2-methyl-aniline
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC1=CC(=C(C=C1N)OC)OC
Structure:

CAS RN: 6784-13-0
CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile
OPENEYE Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile
IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile
SYSTEMATIC NAME: 2-(6-nitro-1,3-benzodioxol-5-yl)ethanenitrile
MOLECULAR FORMULA: C9H6N2O4
MOLECULAR WEIGHT: 206.15494
SMILES: C1OC2=C(O1)C=C(C(=C2)CC#N)[N+](=O)[O-]
Structure:

CAS RN: 27164-10-9
CAS Name: 2,5-dimethyl-3-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 2,5-dimethyl-3-nitro-benzoate
IUPAC Name: methyl 2,5-dimethyl-3-nitrobenzoate
SYSTEMATIC NAME: methyl 2,5-dimethyl-3-nitro-benzoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC1=CC(=C(C(=C1)C(=O)OC)C)[N+](=O)[O-]
Structure:

CAS RN: 1031-13-6
CAS Name: acetic acid [4-acetyloxy-3-methoxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [4-acetoxy-3-methoxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [4-acetyloxy-3-methoxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [4-acetyloxy-3-methoxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H18N4O7
MOLECULAR WEIGHT: 366.32602
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)OC(=O)C)OC
Structure:

CAS RN: 18520-84-8
CAS Name: acetic acid [4,5-diacetyloxy-6-(6-oxo-3H-purin-9-yl)-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-(6-oxo-3H-purin-9-yl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-(6-oxo-3H-purin-9-yl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-(6-oxidanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C16H18N4O8
MOLECULAR WEIGHT: 394.33612
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC=NC3=O
Structure:

CAS RN: 15356-41-9
CAS Name: 5,6,6-tris(ethylthio)hexane-1,2,3,4-tetrol
OPENEYE Name: 5,6,6-tris(ethylsulfanyl)hexane-1,2,3,4-tetrol
IUPAC Name: 5,6,6-tris(ethylsulfanyl)hexane-1,2,3,4-tetrol
SYSTEMATIC NAME: 5,6,6-tris(ethylsulfanyl)hexane-1,2,3,4-tetrol
MOLECULAR FORMULA: C12H26O4S3
MOLECULAR WEIGHT: 330.52744
SMILES: CCSC(C(C(C(CO)O)O)O)C(SCC)SCC
Structure:

CAS RN: 14585-60-5
CAS Name: 2-(aminomethyl)-5-(6-aminopurin-9-yl)-3-oxolanol
OPENEYE Name: 2-(aminomethyl)-5-(6-aminopurin-9-yl)tetrahydrofuran-3-ol
IUPAC Name: 2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolan-3-ol
SYSTEMATIC NAME: 2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolan-3-ol
MOLECULAR FORMULA: C10H14N6O2
MOLECULAR WEIGHT: 250.25716
SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3N)CN)O
Structure:

CAS RN: 4576-90-3
CAS Name: 2-(hydroxymethyl)-5-[2-(methylamino)-6-(phenylmethylthio)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-benzylsulfanyl-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[2-(methylamino)-6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C18H21N5O4S
MOLECULAR WEIGHT: 403.45544
SMILES: CNC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C4C(C(C(O4)CO)O)O
Structure:

CAS RN: 20419-71-0
CAS Name: 7-bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate
IUPAC Name: ethyl 7-bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-bromanyl-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C13H16BrN3O4
MOLECULAR WEIGHT: 358.18784
SMILES: CCOC1=NC(=NC2=C1NC(=C2Br)C(=O)OCC)OCC
Structure:

CAS RN: 15089-51-7
CAS Name: 2-amino-4,5-dimethylbenzoic acid
OPENEYE Name: 2-amino-4,5-dimethyl-benzoic acid
IUPAC Name: 2-amino-4,5-dimethylbenzoic acid
SYSTEMATIC NAME: 2-azanyl-4,5-dimethyl-benzoic acid
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=C(C=C(C(=C1)C(=O)O)N)C
Structure:

CAS RN: 17326-18-0
CAS Name: 2-chloro-7-methyl-4-pyrido[1,2-a]pyrimidinone
OPENEYE Name: 2-chloro-7-methyl-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name: 2-chloro-7-methylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 2-chloranyl-7-methyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C9H7ClN2O
MOLECULAR WEIGHT: 194.61768
SMILES: CC1=CN2C(=NC(=CC2=O)Cl)C=C1
Structure:

CAS RN: 23093-93-8
CAS Name: methanesulfonic acid 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester
OPENEYE Name: 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
IUPAC Name: 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[(3-acetamidophenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C14H22N2O7S2
MOLECULAR WEIGHT: 394.46368
SMILES: CC(=O)NC1=CC(=CC=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
Structure:

CAS RN: 2308-53-4
CAS Name: methanesulfonic acid 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl ester
OPENEYE Name: 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate
IUPAC Name: 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[(3-acetamido-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C14H21N3O8S2
MOLECULAR WEIGHT: 423.46184
SMILES: CC(=O)NC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O
Structure:

CAS RN: 23818-24-8
CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl ester
OPENEYE Name: 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate
IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[2-methylsulfonyloxyethyl-[4-nitro-3-(trifluoromethyl)phenyl]amino]ethyl methanesulfonate
MOLECULAR FORMULA: C13H17F3N2O8S2
MOLECULAR WEIGHT: 450.40789
SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
Structure:

CAS RN: 18128-13-7
CAS Name: benzenesulfonic acid [[4-(benzenesulfonyloxyimino)-1-cyclohexa-2,5-dienylidene]amino] ester
OPENEYE Name: [[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate
IUPAC Name: [[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate
SYSTEMATIC NAME: [[4-(phenylsulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate
MOLECULAR FORMULA: C18H14N2O6S2
MOLECULAR WEIGHT: 418.44356
SMILES: C1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=NOS(=O)(=O)C3=CC=CC=C3)C=C2
Structure:

CAS RN: 13230-43-8
CAS Name: 1-(3-chlorophenyl)-3-(4-fluorophenyl)urea
OPENEYE Name: 1-(3-chlorophenyl)-3-(4-fluorophenyl)urea
IUPAC Name: 1-(3-chlorophenyl)-3-(4-fluorophenyl)urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(4-fluorophenyl)urea
MOLECULAR FORMULA: C13H10ClFN2O
MOLECULAR WEIGHT: 264.682703
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)F
Structure:

CAS RN: 17716-89-1
CAS Name: 1-(3-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(3-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(3-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(3-chlorophenyl)urea
MOLECULAR FORMULA: C14H9Cl2F3N2O
MOLECULAR WEIGHT: 349.13527
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
Structure:

CAS RN: 23838-74-6
CAS Name: 1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C14H10ClF3N2O
MOLECULAR WEIGHT: 314.69021
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
Structure:

CAS RN: 8063-62-5
CAS Name: 1-(3-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(3-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(3-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C14H10ClF3N2O
MOLECULAR WEIGHT: 314.69021
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC(=CC=C2)Cl
Structure:

CAS RN: 153043-81-3
CAS Name: 1-(3-chloropropyl)-3-(4-methylphenyl)urea
OPENEYE Name: 1-(3-chloropropyl)-3-(p-tolyl)urea
IUPAC Name: 1-(3-chloropropyl)-3-(4-methylphenyl)urea
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-3-(4-methylphenyl)urea
MOLECULAR FORMULA: C11H15ClN2O
MOLECULAR WEIGHT: 226.7026
SMILES: CC1=CC=C(C=C1)NC(=O)NCCCCl
Structure:

CAS RN: 1420-91-3
CAS Name: [3-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)cyclopentyl]methanol
OPENEYE Name: [3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
IUPAC Name: [3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
SYSTEMATIC NAME: [3-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
MOLECULAR FORMULA: C12H16N4O
MOLECULAR WEIGHT: 232.28164
SMILES: C1CC(CC1CO)N2C=CC3=C2N=CN=C3N
Structure:

CAS RN: 33279-05-9
CAS Name: 1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(1,1-dimethyl-2-phenyl-ethyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-methyl-1-phenyl-propan-2-yl)urea
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: CC(C)(CC1=CC=CC=C1)NC(=O)NCCCl
Structure:

CAS RN: 3546-10-9
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
MOLECULAR FORMULA: C39H59Cl2NO2
MOLECULAR WEIGHT: 644.79726
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C
Structure:

CAS RN: 10178-40-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: CC1C2C(CC3(C2(CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C)C)OC(C1O)C=C(C)C
Structure:

CAS RN: 10178-38-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H50O4
MOLECULAR WEIGHT: 498.737
SMILES: CC1C2C(CC3(C2(CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C)C)OC(C1OC(=O)C)C=C(C)C
Structure:

CAS RN: 29978-69-6
CAS Name: 1,3-bis(phenylthio)azulene
OPENEYE Name: 1,3-bis(phenylsulfanyl)azulene
IUPAC Name: 1,3-bis(phenylsulfanyl)azulene
SYSTEMATIC NAME: 1,3-bis(phenylsulfanyl)azulene
MOLECULAR FORMULA: C22H16S2
MOLECULAR WEIGHT: 344.49244
SMILES: C1=CC=C(C=C1)SC2=CC(=C3C2=CC=CC=C3)SC4=CC=CC=C4
Structure:

CAS RN: 28538-61-6
CAS Name: 1,4-dimethyl-3-(phenylthio)-7-propan-2-ylazulene
OPENEYE Name: 7-isopropyl-1,4-dimethyl-3-phenylsulfanyl-azulene
IUPAC Name: 1,4-dimethyl-3-phenylsulfanyl-7-propan-2-ylazulene
SYSTEMATIC NAME: 1,4-dimethyl-3-phenylsulfanyl-7-propan-2-yl-azulene
MOLECULAR FORMULA: C21H22S
MOLECULAR WEIGHT: 306.46438
SMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC3=CC=CC=C3
Structure:

CAS RN: 89033-07-8
CAS Name: 3-amino-1,2,4-triazole-1-carboxamide
OPENEYE Name: 3-amino-1,2,4-triazole-1-carboxamide
IUPAC Name: 3-amino-1,2,4-triazole-1-carboxamide
SYSTEMATIC NAME: 3-azanyl-1,2,4-triazole-1-carboxamide
MOLECULAR FORMULA: C3H5N5O
MOLECULAR WEIGHT: 127.1047
SMILES: C1=NC(=NN1C(=O)N)N
Structure:

CAS RN: 16075-64-2
CAS Name: benzenesulfonic acid (4,6-dioxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-5-yl) ester
OPENEYE Name: (4,6-dioxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate
IUPAC Name: (4,6-dioxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate
SYSTEMATIC NAME: [4,6-bis(oxidanylidene)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-5-yl] benzenesulfonate
MOLECULAR FORMULA: C17H12N4O5S
MOLECULAR WEIGHT: 384.36598
SMILES: C1=CC=C(C=C1)N2C3=NC(=O)N(C(=O)C3=CN2)OS(=O)(=O)C4=CC=CC=C4
Structure:

CAS RN: 16078-73-2
CAS Name: benzenesulfonic acid (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) ester
OPENEYE Name: (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate
IUPAC Name: (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate
SYSTEMATIC NAME: [5,7-bis(oxidanylidene)-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl] benzenesulfonate
MOLECULAR FORMULA: C17H12N4O5S
MOLECULAR WEIGHT: 384.36598
SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4
Structure:

CAS RN: 16075-63-1
CAS Name: 5-hydroxy-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
OPENEYE Name: 5-hydroxy-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
IUPAC Name: 5-hydroxy-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-oxidanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
MOLECULAR FORMULA: C11H8N4O3
MOLECULAR WEIGHT: 244.20622
SMILES: C1=CC=C(C=C1)N2C3=NC(=O)N(C(=O)C3=CN2)O
Structure:

CAS RN: 16078-72-1
CAS Name: 6-hydroxy-1-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
OPENEYE Name: 6-hydroxy-1-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC Name: 6-hydroxy-1-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 6-oxidanyl-1-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C11H8N4O3
MOLECULAR WEIGHT: 244.20622
SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)NC(=O)N(C3=O)O
Structure:

CAS RN: 1788-10-9
CAS Name: 4-acetylbenzenesulfonyl chloride
OPENEYE Name: 4-acetylbenzenesulfonyl chloride
IUPAC Name: 4-acetylbenzenesulfonyl chloride
SYSTEMATIC NAME: 4-ethanoylbenzenesulfonyl chloride
MOLECULAR FORMULA: C8H7ClO3S
MOLECULAR WEIGHT: 218.65738
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
Structure:

CAS RN: 13491-29-7
CAS Name: 5-[3-(4-nitrophenyl)prop-2-enylideneamino]-6-phenylpyrimidine-2,4-diamine
OPENEYE Name: 5-[3-(4-nitrophenyl)prop-2-enylideneamino]-6-phenyl-pyrimidine-2,4-diamine
IUPAC Name: 5-[3-(4-nitrophenyl)prop-2-enylideneamino]-6-phenylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-[3-(4-nitrophenyl)prop-2-enylideneamino]-6-phenyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C19H16N6O2
MOLECULAR WEIGHT: 360.36934
SMILES: C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)N=CC=CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 14052-52-9
CAS Name: 1-[3-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-[3-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-[3-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[3-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H25Cl2N5
MOLECULAR WEIGHT: 418.3627
SMILES: CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=C(C=C(C=C3)Cl)Cl)N)N)C
Structure:

CAS RN: 52891-00-6
CAS Name: 1-[2-(propylthio)phenyl]piperazine
OPENEYE Name: 1-(2-propylsulfanylphenyl)piperazine
IUPAC Name: 1-(2-propylsulfanylphenyl)piperazine
SYSTEMATIC NAME: 1-(2-propylsulfanylphenyl)piperazine
MOLECULAR FORMULA: C13H20N2S
MOLECULAR WEIGHT: 236.3763
SMILES: CCCSC1=CC=CC=C1N2CCNCC2
Structure:

CAS RN: 2425-33-4
CAS Name: 2-bromo-1-cyclohexanol
OPENEYE Name: 2-bromocyclohexanol
IUPAC Name: 2-bromocyclohexan-1-ol
SYSTEMATIC NAME: 2-bromanylcyclohexan-1-ol
MOLECULAR FORMULA: C6H11BrO
MOLECULAR WEIGHT: 179.05494
SMILES: C1CCC(C(C1)O)Br
Structure:

CAS RN: 1501-41-3
CAS Name: 2-[4-(2-bromo-2-ethyl-1-oxobutyl)-2,3-dichlorophenoxy]acetic acid
OPENEYE Name: 2-[4-(2-bromo-2-ethyl-butanoyl)-2,3-dichloro-phenoxy]acetic acid
IUPAC Name: 2-[4-(2-bromo-2-ethylbutanoyl)-2,3-dichlorophenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(2-bromanyl-2-ethyl-butanoyl)-2,3-bis(chloranyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C14H15BrCl2O4
MOLECULAR WEIGHT: 398.0765
SMILES: CCC(CC)(C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl)Br
Structure:

CAS RN: 2308-51-2
CAS Name: methanesulfonic acid 2-[3-fluoro-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl ester
OPENEYE Name: 2-[3-fluoro-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate
IUPAC Name: 2-[3-fluoro-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[(3-fluoranyl-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C12H17FN2O7S2
MOLECULAR WEIGHT: 384.400983
SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)N=O)F
Structure:

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