CAS RN: 22007-68-7
CAS Name: 2-methylpropanimidamide hydrochloride
OPENEYE Name: 2-methylpropanamidine hydrochloride
IUPAC Name: 2-methylpropanimidamide hydrochloride
SYSTEMATIC NAME: 2-methylpropanimidamide hydrochloride
MOLECULAR FORMULA: C4H11ClN2
MOLECULAR WEIGHT: 122.59654
SMILES: CC(C)C(=N)N.Cl
Structure:
CAS RN: 175278-02-1
CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-propanoate
IUPAC Name: ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C13H10F6O3
MOLECULAR WEIGHT: 328.207119
SMILES: CCOC(=O)CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 306936-81-2
CAS Name: 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetic acid ethyl ester
OPENEYE Name: ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxo-acetate
IUPAC Name: ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetate
SYSTEMATIC NAME: ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C12H8F6O3
MOLECULAR WEIGHT: 314.180539
SMILES: CCOC(=O)C(=O)C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 57297-29-7
CAS Name: cyclopropanecarboximidamide hydrochloride
OPENEYE Name: cyclopropanecarboxamidine hydrochloride
IUPAC Name: cyclopropanecarboximidamide hydrochloride
SYSTEMATIC NAME: cyclopropanecarboximidamide hydrochloride
MOLECULAR FORMULA: C4H9ClN2
MOLECULAR WEIGHT: 120.58066
SMILES: C1CC1C(=N)N.Cl
Structure:
CAS RN: 54070-74-5
CAS Name: cyclopropanecarboximidamide hydrochloride
OPENEYE Name: cyclopropanecarboxamidine hydrochloride
IUPAC Name: cyclopropanecarboximidamide hydrochloride
SYSTEMATIC NAME: cyclopropanecarboximidamide hydrochloride
MOLECULAR FORMULA: C4H9ClN2
MOLECULAR WEIGHT: 120.58066
SMILES: C1CC1C(=N)N.Cl
Structure:
CAS RN: 18202-73-8
CAS Name: 2,2-dimethylpropanimidamide hydrochloride
OPENEYE Name: 2,2-dimethylpropanamidine hydrochloride
IUPAC Name: 2,2-dimethylpropanimidamide hydrochloride
SYSTEMATIC NAME: 2,2-dimethylpropanimidamide hydrochloride
MOLECULAR FORMULA: C5H13ClN2
MOLECULAR WEIGHT: 136.62312
SMILES: CC(C)(C)C(=N)N.Cl
Structure:
CAS RN: 263387-09-3
CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
OPENEYE Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]ethanol
IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]ethanol
SYSTEMATIC NAME: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]ethanol
MOLECULAR FORMULA: C9H10ClF3N2O
MOLECULAR WEIGHT: 254.63671
SMILES: CN(CCO)C1=C(C=C(C=N1)C(F)(F)F)Cl
Structure:
CAS RN: 175276-92-3
CAS Name: 2,4-difluorobenzenecarbothioamide
OPENEYE Name: 2,4-difluorobenzenecarbothioamide
IUPAC Name: 2,4-difluorobenzenecarbothioamide
SYSTEMATIC NAME: 2,4-bis(fluoranyl)benzenecarbothioamide
MOLECULAR FORMULA: C7H5F2NS
MOLECULAR WEIGHT: 173.183106
SMILES: C1=CC(=C(C=C1F)F)C(=S)N
Structure:
CAS RN: 175204-45-2
CAS Name: 4-(bromomethyl)-2,6-dichloropyridine
OPENEYE Name: 4-(bromomethyl)-2,6-dichloro-pyridine
IUPAC Name: 4-(bromomethyl)-2,6-dichloropyridine
SYSTEMATIC NAME: 4-(bromomethyl)-2,6-bis(chloranyl)pyridine
MOLECULAR FORMULA: C6H4BrCl2N
MOLECULAR WEIGHT: 240.91266
SMILES: C1=C(C=C(N=C1Cl)Cl)CBr
Structure:
CAS RN: 89281-13-0
CAS Name: 2,6-dichloro-4-pyridinecarboxamide
OPENEYE Name: 2,6-dichloropyridine-4-carboxamide
IUPAC Name: 2,6-dichloropyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-bis(chloranyl)pyridine-4-carboxamide
MOLECULAR FORMULA: C6H4Cl2N2O
MOLECULAR WEIGHT: 191.01476
SMILES: C1=C(C=C(N=C1Cl)Cl)C(=O)N
Structure:
CAS RN: 54610-70-7
CAS Name: 2-thiophenecarboximidamide hydrochloride
OPENEYE Name: thiophene-2-carboxamidine hydrochloride
IUPAC Name: thiophene-2-carboximidamide hydrochloride
SYSTEMATIC NAME: thiophene-2-carboximidamide hydrochloride
MOLECULAR FORMULA: C5H7ClN2S
MOLECULAR WEIGHT: 162.64048
SMILES: C1=CSC(=C1)C(=N)N.Cl
Structure:
CAS RN: 306936-03-8
CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]benzaldehyde
OPENEYE Name: 2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]benzaldehyde
IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzaldehyde
SYSTEMATIC NAME: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzaldehyde
MOLECULAR FORMULA: C17H16F3N3O
MOLECULAR WEIGHT: 335.32365
SMILES: C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3C=O
Structure:
CAS RN: 259269-84-6
CAS Name: 2-amino-3-bromo-5-fluorobenzoic acid
OPENEYE Name: 2-amino-3-bromo-5-fluoro-benzoic acid
IUPAC Name: 2-amino-3-bromo-5-fluorobenzoic acid
SYSTEMATIC NAME: 2-azanyl-3-bromanyl-5-fluoranyl-benzoic acid
MOLECULAR FORMULA: C7H5BrFNO2
MOLECULAR WEIGHT: 234.022503
SMILES: C1=C(C=C(C(=C1Br)N)C(=O)O)F
Structure:
CAS RN: 4735-42-6
CAS Name: 3-[4-(trifluoromethoxy)phenyl]-2-propenoyl chloride
OPENEYE Name: 3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl chloride
IUPAC Name: 3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl chloride
SYSTEMATIC NAME: 3-[4-(trifluoromethyloxy)phenyl]prop-2-enoyl chloride
MOLECULAR FORMULA: C10H6ClF3O2
MOLECULAR WEIGHT: 250.60165
SMILES: C1=CC(=CC=C1C=CC(=O)Cl)OC(F)(F)F
Structure:
CAS RN: 66102-82-7
CAS Name: 2-[1-oxo-2-(2-pyridinylthio)ethyl]-3-thiazolo[3,2-a]pyridin-4-iumolate
OPENEYE Name: 2-[2-(2-pyridylsulfanyl)acetyl]thiazolo[3,2-a]pyridin-4-ium-3-olate
IUPAC Name: 2-(2-pyridin-2-ylsulfanylacetyl)-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate
SYSTEMATIC NAME: 2-(2-pyridin-2-ylsulfanylethanoyl)-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate
MOLECULAR FORMULA: C14H10N2O2S2
MOLECULAR WEIGHT: 302.3714
SMILES: C1=CC=NC(=C1)SCC(=O)C2=C([N+]3=CC=CC=C3S2)[O-]
Structure:
CAS RN: 56658-04-9
CAS Name: 2-bromo-5-methoxybenzoyl chloride
OPENEYE Name: 2-bromo-5-methoxy-benzoyl chloride
IUPAC Name: 2-bromo-5-methoxybenzoyl chloride
SYSTEMATIC NAME: 2-bromanyl-5-methoxy-benzoyl chloride
MOLECULAR FORMULA: C8H6BrClO2
MOLECULAR WEIGHT: 249.48904
SMILES: COC1=CC(=C(C=C1)Br)C(=O)Cl
Structure:
CAS RN: 42521-08-4
CAS Name: 2,6-dichloro-4-pyridinecarbonyl chloride
OPENEYE Name: 2,6-dichloropyridine-4-carbonyl chloride
IUPAC Name: 2,6-dichloropyridine-4-carbonyl chloride
SYSTEMATIC NAME: 2,6-bis(chloranyl)pyridine-4-carbonyl chloride
MOLECULAR FORMULA: C6H2Cl3NO
MOLECULAR WEIGHT: 210.44518
SMILES: C1=C(C=C(N=C1Cl)Cl)C(=O)Cl
Structure:
CAS RN: 175205-81-9
CAS Name: 2-bromo-4-(trifluoromethyl)pyridine
OPENEYE Name: 2-bromo-4-(trifluoromethyl)pyridine
IUPAC Name: 2-bromo-4-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-bromanyl-4-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3BrF3N
MOLECULAR WEIGHT: 225.99393
SMILES: C1=CN=C(C=C1C(F)(F)F)Br
Structure:
CAS RN: 175205-77-3
CAS Name: 4-chloro-2-(trifluoromethoxy)aniline
OPENEYE Name: 4-chloro-2-(trifluoromethoxy)aniline
IUPAC Name: 4-chloro-2-(trifluoromethoxy)aniline
SYSTEMATIC NAME: 4-chloranyl-2-(trifluoromethyloxy)aniline
MOLECULAR FORMULA: C7H5ClF3NO
MOLECULAR WEIGHT: 211.56891
SMILES: C1=CC(=C(C=C1Cl)OC(F)(F)F)N
Structure:
CAS RN: 6307-44-4
CAS Name: 2-amino-6-methyl-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-methyl-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-methyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-methyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C5H7N3S
MOLECULAR WEIGHT: 141.19418
SMILES: CC1=CC(=S)N=C(N1)N
Structure:
CAS RN: 1429-24-9
CAS Name: 4-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoate
IUPAC Name: ethyl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoate
SYSTEMATIC NAME: ethyl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoate
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC
Structure:
CAS RN: 68569-67-5
CAS Name: 1-amino-2-(2,6-dimethylphenyl)guanidine hydroiodide
OPENEYE Name: 1-amino-2-(2,6-dimethylphenyl)guanidine hydroiodide
IUPAC Name: 1-amino-2-(2,6-dimethylphenyl)guanidine hydroiodide
SYSTEMATIC NAME: 1-azanyl-2-(2,6-dimethylphenyl)guanidine hydroiodide
MOLECULAR FORMULA: C9H15IN4
MOLECULAR WEIGHT: 306.14667
SMILES: CC1=C(C(=CC=C1)C)N=C(N)NN.I
Structure:
CAS RN: 139937-37-4
CAS Name: 4-bromo-2-methylbenzenesulfonyl chloride
OPENEYE Name: 4-bromo-2-methyl-benzenesulfonyl chloride
IUPAC Name: 4-bromo-2-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 4-bromanyl-2-methyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H6BrClO2S
MOLECULAR WEIGHT: 269.54334
SMILES: CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl
Structure:
CAS RN: 5542-60-9
CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride
OPENEYE Name: 2-(4-chlorophenoxy)-2-methyl-propanoyl chloride
IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-2-methyl-propanoyl chloride
MOLECULAR FORMULA: C10H10Cl2O2
MOLECULAR WEIGHT: 233.0912
SMILES: CC(C)(C(=O)Cl)OC1=CC=C(C=C1)Cl
Structure:
CAS RN: 1457-92-7
CAS Name: 4-methyl-2,1,3-benzothiadiazole
OPENEYE Name: 4-methyl-2,1,3-benzothiadiazole
IUPAC Name: 4-methyl-2,1,3-benzothiadiazole
SYSTEMATIC NAME: 4-methyl-2,1,3-benzothiadiazole
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: CC1=CC=CC2=NSN=C12
Structure:
CAS RN: 97009-67-1
CAS Name: 1-(4-fluorophenyl)-1-cyclopropanecarbonitrile
OPENEYE Name: 1-(4-fluorophenyl)cyclopropanecarbonitrile
IUPAC Name: 1-(4-fluorophenyl)cyclopropane-1-carbonitrile
SYSTEMATIC NAME: 1-(4-fluorophenyl)cyclopropane-1-carbonitrile
MOLECULAR FORMULA: C10H8FN
MOLECULAR WEIGHT: 161.175623
SMILES: C1CC1(C#N)C2=CC=C(C=C2)F
Structure:
CAS RN: 23088-23-5
CAS Name: 6-quinoxalinecarboxylic acid methyl ester
OPENEYE Name: methyl quinoxaline-6-carboxylate
IUPAC Name: methyl quinoxaline-6-carboxylate
SYSTEMATIC NAME: methyl quinoxaline-6-carboxylate
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: COC(=O)C1=CC2=NC=CN=C2C=C1
Structure:
CAS RN: 39620-02-5
CAS Name: 5-bromo-3-pyridinecarbonyl chloride
OPENEYE Name: 5-bromopyridine-3-carbonyl chloride
IUPAC Name: 5-bromopyridine-3-carbonyl chloride
SYSTEMATIC NAME: 5-bromanylpyridine-3-carbonyl chloride
MOLECULAR FORMULA: C6H3BrClNO
MOLECULAR WEIGHT: 220.45112
SMILES: C1=C(C=NC=C1Br)C(=O)Cl
Structure:
CAS RN: 26348-61-8
CAS Name: 2-amino-3-hydroxypropanoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-3-hydroxy-propanoate hydrochloride
IUPAC Name: ethyl 2-amino-3-hydroxypropanoate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-3-oxidanyl-propanoate hydrochloride
MOLECULAR FORMULA: C5H12ClNO3
MOLECULAR WEIGHT: 169.60668
SMILES: CCOC(=O)C(CO)N.Cl
Structure:
CAS RN: 671-41-0
CAS Name: 5-fluoro-4-sulfanylidene-1H-pyrimidin-2-one
OPENEYE Name: 5-fluoro-4-thioxo-1H-pyrimidin-2-one
IUPAC Name: 5-fluoro-4-sulfanylidene-1H-pyrimidin-2-one
SYSTEMATIC NAME: 5-fluoranyl-4-sulfanylidene-1H-pyrimidin-2-one
MOLECULAR FORMULA: C4H3FN2OS
MOLECULAR WEIGHT: 146.142823
SMILES: C1=C(C(=S)NC(=O)N1)F
Structure:
CAS RN: 39954-66-0
CAS Name: 1-(4-nitrophenyl)-2-(1-quinolin-1-iumyl)ethanone bromide
OPENEYE Name: 1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-ethanone bromide
IUPAC Name: 1-(4-nitrophenyl)-2-quinolin-1-ium-1-ylethanone bromide
SYSTEMATIC NAME: 1-(4-nitrophenyl)-2-quinolin-1-ium-1-yl-ethanone bromide
MOLECULAR FORMULA: C17H13BrN2O3
MOLECULAR WEIGHT: 373.20072
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]
Structure:
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