CAS RN: 4203-18-3
CAS Name: 4,6-dichloroquinoline
OPENEYE Name: 4,6-dichloroquinoline
IUPAC Name: 4,6-dichloroquinoline
SYSTEMATIC NAME: 4,6-bis(chloranyl)quinoline
MOLECULAR FORMULA: C9H5Cl2N
MOLECULAR WEIGHT: 198.0487
SMILES: C1=CC2=NC=CC(=C2C=C1Cl)Cl
Structure:
CAS RN: 105411-90-3
CAS Name: 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-(4-isobutoxyphenyl)sulfonyl-pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[4-(2-methylpropoxy)phenyl]sulfonyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H15FN2O5S
MOLECULAR WEIGHT: 342.342703
SMILES: CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 2508-06-7
CAS Name: 8-(methylthio)-7H-purin-6-amine
OPENEYE Name: 8-methylsulfanyl-7H-purin-6-amine
IUPAC Name: 8-methylsulfanyl-7H-purin-6-amine
SYSTEMATIC NAME: 8-methylsulfanyl-7H-purin-6-amine
MOLECULAR FORMULA: C6H7N5S
MOLECULAR WEIGHT: 181.21828
SMILES: CSC1=NC2=C(N1)C(=NC=N2)N
Structure:
CAS RN: 10486-42-7
CAS Name: 1,3-dihydrobenzo[f]benzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzo[f]benzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzo[f]benzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzo[f]benzimidazole-2-thione
MOLECULAR FORMULA: C11H8N2S
MOLECULAR WEIGHT: 200.25962
SMILES: C1=CC=C2C=C3C(=CC2=C1)NC(=S)N3
Structure:
CAS RN: 111038-09-6
CAS Name: (2E)-2-[1-(2-amino-2-sulfanylideneethyl)-2-pyrrolidinylidene]-2-cyanoacetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-[1-(2-amino-2-thioxo-ethyl)pyrrolidin-2-ylidene]-2-cyano-acetate
IUPAC Name: ethyl (2E)-2-[1-(2-amino-2-sulfanylideneethyl)pyrrolidin-2-ylidene]-2-cyanoacetate
SYSTEMATIC NAME: ethyl (2E)-2-[1-(2-azanyl-2-sulfanylidene-ethyl)pyrrolidin-2-ylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C11H15N3O2S
MOLECULAR WEIGHT: 253.3207
SMILES: CCOC(=O)/C(=C/1\CCCN1CC(=S)N)/C#N
Structure:
CAS RN: 5966-20-1
CAS Name: 4-(pyridin-4-ylmethylamino)benzoic acid
OPENEYE Name: 4-(4-pyridylmethylamino)benzoic acid
IUPAC Name: 4-(pyridin-4-ylmethylamino)benzoic acid
SYSTEMATIC NAME: 4-(pyridin-4-ylmethylamino)benzoic acid
MOLECULAR FORMULA: C13H12N2O2
MOLECULAR WEIGHT: 228.24658
SMILES: C1=CC(=CC=C1C(=O)O)NCC2=CC=NC=C2
Structure:
CAS RN: 22236-04-0
CAS Name: 2-(difluoromethoxy)aniline
OPENEYE Name: 2-(difluoromethoxy)aniline
IUPAC Name: 2-(difluoromethoxy)aniline
SYSTEMATIC NAME: 2-[bis(fluoranyl)methoxy]aniline
MOLECULAR FORMULA: C7H7F2NO
MOLECULAR WEIGHT: 159.133386
SMILES: C1=CC=C(C(=C1)N)OC(F)F
Structure:
CAS RN: 4876-66-8
CAS Name: N-(1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)ethylideneamino]oxyacetamide
OPENEYE Name: N-(1,3-benzothiazol-2-yl)-2-[1-(p-tolyl)ethylideneamino]oxy-acetamide
IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)ethylideneamino]oxyacetamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)ethylideneamino]oxy-ethanamide
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: CC1=CC=C(C=C1)C(=NOCC(=O)NC2=NC3=CC=CC=C3S2)C
Structure:
CAS RN: 4874-80-0
CAS Name: N-(1-ethyl-3-pyrazolo[3,4-b]quinolinyl)-2-methoxyacetamide
OPENEYE Name: N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxy-acetamide
IUPAC Name: N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
SYSTEMATIC NAME: N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxy-ethanamide
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)COC
Structure:
CAS RN: 1030378-93-8
CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
OPENEYE Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
SYSTEMATIC NAME: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CC1=C(C(=NN1)C)CC2=CC=C(C=C2)N
Structure:
CAS RN: 6152-81-4
CAS Name: N-(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)benzamide
OPENEYE Name: N-(4,7-dimethyl-2-oxo-chromen-6-yl)benzamide
IUPAC Name: N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide
SYSTEMATIC NAME: N-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)benzamide
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)NC(=O)C3=CC=CC=C3)C
Structure:
CAS RN: 49773-66-2
CAS Name: 1-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylthiourea
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyleneamino]-3-phenyl-thiourea
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C16H17N3O2S
MOLECULAR WEIGHT: 315.39008
SMILES: COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)OC
Structure:
CAS RN: 74959-65-2
CAS Name: 1-[(4-chlorophenyl)methylideneamino]-3-phenylthiourea
OPENEYE Name: 1-[(4-chlorophenyl)methyleneamino]-3-phenyl-thiourea
IUPAC Name: 1-[(4-chlorophenyl)methylideneamino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methylideneamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C14H12ClN3S
MOLECULAR WEIGHT: 289.78318
SMILES: C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 4869-60-7
CAS Name: 4-[5-[(2,6-difluorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]pyridine
OPENEYE Name: 4-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
IUPAC Name: 4-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
SYSTEMATIC NAME: 4-[5-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
MOLECULAR FORMULA: C16H14F2N4S
MOLECULAR WEIGHT: 332.370966
SMILES: CCN1C(=NN=C1SCC2=C(C=CC=C2F)F)C3=CC=NC=C3
Structure:
CAS RN: 100908-62-1
CAS Name: (E)-2-cyano-3-(4-fluorophenyl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C10H7FN2O
MOLECULAR WEIGHT: 190.173783
SMILES: C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)F
Structure:
CAS RN: 310421-56-8
CAS Name: 10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 7-nitro-10-(p-tolyl)pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-(4-methylphenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C18H12N4O4
MOLECULAR WEIGHT: 348.31228
SMILES: CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O
Structure:
CAS RN: 4655-97-4
CAS Name: 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
OPENEYE Name: 5-(3-chloro-4-methyl-phenyl)-3-(p-tolyl)-1,2,4-oxadiazole
IUPAC Name: 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(3-chloranyl-4-methyl-phenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)C)Cl
Structure:
CAS RN: 4862-77-5
CAS Name: N-(3-fluorophenyl)-2-(2-pyridinyl)-4-quinazolinamine
OPENEYE Name: N-(3-fluorophenyl)-2-(2-pyridyl)quinazolin-4-amine
IUPAC Name: N-(3-fluorophenyl)-2-pyridin-2-ylquinazolin-4-amine
SYSTEMATIC NAME: N-(3-fluorophenyl)-2-pyridin-2-yl-quinazolin-4-amine
MOLECULAR FORMULA: C19H13FN4
MOLECULAR WEIGHT: 316.331723
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=N3)NC4=CC(=CC=C4)F
Structure:
CAS RN: 30235-28-0
CAS Name: 4-pyridin-4-yl-2-thiazolamine
OPENEYE Name: 4-(4-pyridyl)thiazol-2-amine
IUPAC Name: 4-pyridin-4-yl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-pyridin-4-yl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C8H7N3S
MOLECULAR WEIGHT: 177.22628
SMILES: C1=CN=CC=C1C2=CSC(=N2)N
Structure:
CAS RN: 4857-51-6
CAS Name: 1-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-pyrazolo[3,4-d]pyrimidinamine
OPENEYE Name: 1-[(4-chlorophenyl)methyl]-N-cyclohexyl-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]-N-cyclohexyl-pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H20ClN5
MOLECULAR WEIGHT: 341.8379
SMILES: C1CCC(CC1)NC2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 5743-21-5
CAS Name: 5-[(3-fluorophenyl)methylidene]-2-(4-methylanilino)-4-thiazolone
OPENEYE Name: 5-[(3-fluorophenyl)methylene]-2-(4-methylanilino)thiazol-4-one
IUPAC Name: 5-[(3-fluorophenyl)methylidene]-2-(4-methylanilino)-1,3-thiazol-4-one
SYSTEMATIC NAME: 5-[(3-fluorophenyl)methylidene]-2-[(4-methylphenyl)amino]-1,3-thiazol-4-one
MOLECULAR FORMULA: C17H13FN2OS
MOLECULAR WEIGHT: 312.361323
SMILES: CC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=CC=C3)F)S2
Structure:
CAS RN: 4853-37-6
CAS Name: 4-[(2-methyl-5-phenyl-1-pyrrolyl)methyl]benzoic acid
OPENEYE Name: 4-[(2-methyl-5-phenyl-pyrrol-1-yl)methyl]benzoic acid
IUPAC Name: 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]benzoic acid
SYSTEMATIC NAME: 4-[(2-methyl-5-phenyl-pyrrol-1-yl)methyl]benzoic acid
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: CC1=CC=C(N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 59272-24-1
CAS Name: 2-chloro-N-[oxo-[(phenylmethyl)amino]methyl]acetamide
OPENEYE Name: N-(benzylcarbamoyl)-2-chloro-acetamide
IUPAC Name: N-(benzylcarbamoyl)-2-chloroacetamide
SYSTEMATIC NAME: 2-chloranyl-N-[(phenylmethyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C1=CC=C(C=C1)CNC(=O)NC(=O)CCl
Structure:
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