CAS RN: 134615-85-3
CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide
OPENEYE Name: 2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylacetamide
IUPAC Name: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide
MOLECULAR FORMULA: C17H15N3O2S
MOLECULAR WEIGHT: 325.3849
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N
Structure:
CAS RN: 400877-05-6
CAS Name: (1-methyl-4-pyrazolyl)methanamine
OPENEYE Name: (1-methylpyrazol-4-yl)methanamine
IUPAC Name: (1-methylpyrazol-4-yl)methanamine
SYSTEMATIC NAME: (1-methylpyrazol-4-yl)methanamine
MOLECULAR FORMULA: C5H9N3
MOLECULAR WEIGHT: 111.14506
SMILES: CN1C=C(C=N1)CN
Structure:
CAS RN: 729-24-8
CAS Name: (2S)-2-amino-3-methyl-N-(2-naphthalenyl)butanamide
OPENEYE Name: (2S)-2-amino-3-methyl-N-(2-naphthyl)butanamide
IUPAC Name: (2S)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
SYSTEMATIC NAME: (2S)-2-azanyl-3-methyl-N-naphthalen-2-yl-butanamide
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CC(C)[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N
Structure:
CAS RN: 24250-84-8
CAS Name: (2S)-2-amino-3-(4-bromophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(4-bromophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(4-bromophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-bromophenyl)propanoic acid
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)Br
Structure:
CAS RN: 84271-26-1
CAS Name: (2Z)-2-(1-hydroxy-2,2,5,5-tetramethyl-4-imidazolidinylidene)-1-phenylethanone
OPENEYE Name: (2Z)-2-(1-hydroxy-2,2,5,5-tetramethyl-imidazolidin-4-ylidene)-1-phenyl-ethanone
IUPAC Name: (2Z)-2-(1-hydroxy-2,2,5,5-tetramethylimidazolidin-4-ylidene)-1-phenylethanone
SYSTEMATIC NAME: (2Z)-1-phenyl-2-(2,2,5,5-tetramethyl-1-oxidanyl-imidazolidin-4-ylidene)ethanone
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC1(/C(=C/C(=O)C2=CC=CC=C2)/NC(N1O)(C)C)C
Structure:
CAS RN: 52075-14-6
CAS Name: (4R,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydrooxazole
OPENEYE Name: (4R,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydrooxazole
IUPAC Name: (4R,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SYSTEMATIC NAME: (4R,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CC1=N[C@@H]([C@@H](O1)C2=CC=CC=C2)COC
Structure:
CAS RN: 6296-91-9
CAS Name: N-(4-methoxyphenyl)-7H-purin-6-amine
OPENEYE Name: N-(4-methoxyphenyl)-7H-purin-6-amine
IUPAC Name: N-(4-methoxyphenyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-7H-purin-6-amine
MOLECULAR FORMULA: C12H11N5O
MOLECULAR WEIGHT: 241.24864
SMILES: COC1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 329082-04-4
CAS Name: 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C13H20N2O3S
MOLECULAR WEIGHT: 284.3745
SMILES: CCN(CC)C(=O)C1=C(C(=C(S1)N)C(=O)OCC)C
Structure:
CAS RN: 57626-37-6
CAS Name: 6-methyl-5-imidazo[2,1-b]thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methylimidazo[2,1-b]thiazole-5-carboxylate
IUPAC Name: ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate
MOLECULAR FORMULA: C9H10N2O2S
MOLECULAR WEIGHT: 210.2529
SMILES: CCOC(=O)C1=C(N=C2N1C=CS2)C
Structure:
CAS RN: 6970-39-4
CAS Name: N-(3-methoxyphenyl)-7H-purin-6-amine
OPENEYE Name: N-(3-methoxyphenyl)-7H-purin-6-amine
IUPAC Name: N-(3-methoxyphenyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-(3-methoxyphenyl)-7H-purin-6-amine
MOLECULAR FORMULA: C12H11N5O
MOLECULAR WEIGHT: 241.24864
SMILES: COC1=CC=CC(=C1)NC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 108086-40-4
CAS Name: N-(4-methoxyphenyl)-2-(4-oxo-3-quinazolinyl)acetamide
OPENEYE Name: N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
IUPAC Name: N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-2-(4-oxidanylidenequinazolin-3-yl)ethanamide
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: COC1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 20679-94-1
CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-2-hydroxybenzoic acid
OPENEYE Name: 2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
IUPAC Name: 2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-4-(phenylcarbamothioylamino)benzoic acid
MOLECULAR FORMULA: C14H12N2O3S
MOLECULAR WEIGHT: 288.32168
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C(=O)O)O
Structure:
CAS RN: 84547-83-1
CAS Name: 4-chloro-2-methyl-3-pyrazolecarboxylic acid
OPENEYE Name: 4-chloro-2-methyl-pyrazole-3-carboxylic acid
IUPAC Name: 4-chloro-2-methylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 4-chloranyl-2-methyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C5H5ClN2O2
MOLECULAR WEIGHT: 160.5584
SMILES: CN1C(=C(C=N1)Cl)C(=O)O
Structure:
CAS RN: 6613-83-8
CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
OPENEYE Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thienyl)acetamide
IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
SYSTEMATIC NAME: N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-ethanamide
MOLECULAR FORMULA: C14H16N2O3S2
MOLECULAR WEIGHT: 324.41844
SMILES: C1=CSC(=C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
Structure:
CAS RN: 15386-58-0
CAS Name: 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H7Cl2NO2
MOLECULAR WEIGHT: 244.07408
SMILES: C1CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 21821-40-9
CAS Name: 4-(5-formyl-2-furanyl)benzenesulfonamide
OPENEYE Name: 4-(5-formyl-2-furyl)benzenesulfonamide
IUPAC Name: 4-(5-formylfuran-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-(5-methanoylfuran-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C11H9NO4S
MOLECULAR WEIGHT: 251.25846
SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)S(=O)(=O)N
Structure:
CAS RN: 32428-71-0
CAS Name: 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
OPENEYE Name: 2-chloro-N-(2-ethyl-6-methyl-phenyl)acetamide
IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-ethyl-6-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C11H14ClNO
MOLECULAR WEIGHT: 211.68796
SMILES: CCC1=CC=CC(=C1NC(=O)CCl)C
Structure:
CAS RN: 4943-86-6
CAS Name: 2-amino-N-(4-chlorophenyl)benzamide
OPENEYE Name: 2-amino-N-(4-chlorophenyl)benzamide
IUPAC Name: 2-amino-N-(4-chlorophenyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(4-chlorophenyl)benzamide
MOLECULAR FORMULA: C13H11ClN2O
MOLECULAR WEIGHT: 246.69224
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 5765-62-8
CAS Name: N-methyl-1-(4-nitrophenyl)-1-(1-piperidinyl)methanimine
OPENEYE Name: N-methyl-1-(4-nitrophenyl)-1-(1-piperidyl)methanimine
IUPAC Name: N-methyl-1-(4-nitrophenyl)-1-piperidin-1-ylmethanimine
SYSTEMATIC NAME: N-methyl-1-(4-nitrophenyl)-1-piperidin-1-yl-methanimine
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CN=C(C1=CC=C(C=C1)[N+](=O)[O-])N2CCCCC2
Structure:
CAS RN: 696641-73-3
CAS Name: (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(3,4-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: COC1=C(C=C(C=C1)[C@H](CC(=O)O)N)OC
Structure:
CAS RN: 6600-14-2
CAS Name: 1-[(3-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester
OPENEYE Name: methyl 1-(3-bromobenzoyl)piperidine-4-carboxylate
IUPAC Name: methyl 1-(3-bromobenzoyl)piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-(3-bromophenyl)carbonylpiperidine-4-carboxylate
MOLECULAR FORMULA: C14H16BrNO3
MOLECULAR WEIGHT: 326.18574
SMILES: COC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)Br
Structure:
CAS RN: 6602-96-6
CAS Name: 2-(4-bromophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
OPENEYE Name: 2-(4-bromophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
IUPAC Name: 2-(4-bromophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SYSTEMATIC NAME: 2-(4-bromophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
MOLECULAR FORMULA: C17H16BrNO
MOLECULAR WEIGHT: 330.21904
SMILES: C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)Br
Structure:
CAS RN: 6178-59-2
CAS Name: N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide
OPENEYE Name: N-(2,5-dimethylphenyl)-3,3-dimethyl-butanamide
IUPAC Name: N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CC(C)(C)C
Structure:
CAS RN: 6181-71-1
CAS Name: 2,2-dimethyl-N-(3-pyridinylmethyl)butanamide
OPENEYE Name: 2,2-dimethyl-N-(3-pyridylmethyl)butanamide
IUPAC Name: 2,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CCC(C)(C)C(=O)NCC1=CN=CC=C1
Structure:
CAS RN: 6184-70-9
CAS Name: 2-(4-bromophenyl)-N-(2-thiazolyl)acetamide
OPENEYE Name: 2-(4-bromophenyl)-N-thiazol-2-yl-acetamide
IUPAC Name: 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C11H9BrN2OS
MOLECULAR WEIGHT: 297.17096
SMILES: C1=CC(=CC=C1CC(=O)NC2=NC=CS2)Br
Structure:
CAS RN: 6233-31-4
CAS Name: 2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)acetamide
OPENEYE Name: 2-(4-chlorophenyl)-N-(5-chloro-2-pyridyl)acetamide
IUPAC Name: 2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
SYSTEMATIC NAME: N-(5-chloranylpyridin-2-yl)-2-(4-chlorophenyl)ethanamide
MOLECULAR FORMULA: C13H10Cl2N2O
MOLECULAR WEIGHT: 281.1373
SMILES: C1=CC(=CC=C1CC(=O)NC2=NC=C(C=C2)Cl)Cl
Structure:
CAS RN: 6130-50-3
CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-thiophen-2-ylethanone
OPENEYE Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-thienyl)ethanone
IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SYSTEMATIC NAME: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-yl-ethanone
MOLECULAR FORMULA: C16H17ClN2OS
MOLECULAR WEIGHT: 320.83698
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC=CS3
Structure:
CAS RN: 6170-80-5
CAS Name: 5-chloro-2-methoxy-N-(2-pyridinylmethyl)benzamide
OPENEYE Name: 5-chloro-2-methoxy-N-(2-pyridylmethyl)benzamide
IUPAC Name: 5-chloro-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
SYSTEMATIC NAME: 5-chloranyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
MOLECULAR FORMULA: C14H13ClN2O2
MOLECULAR WEIGHT: 276.71822
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC=CC=N2
Structure:
CAS RN: 4345-97-5
CAS Name: 2-chloro-N-(3-methylbutyl)benzamide
OPENEYE Name: 2-chloro-N-isopentyl-benzamide
IUPAC Name: 2-chloro-N-(3-methylbutyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-methylbutyl)benzamide
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CC(C)CCNC(=O)C1=CC=CC=C1Cl
Structure:
CAS RN: 6129-33-5
CAS Name: N-[4-(dimethylamino)phenyl]-4-morpholinecarboxamide
OPENEYE Name: N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
IUPAC Name: N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
SYSTEMATIC NAME: N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)N2CCOCC2
Structure:
CAS RN: 6001-32-7
CAS Name: 4-methoxy-N-(5-methyl-2-pyridinyl)benzenesulfonamide
OPENEYE Name: 4-methoxy-N-(5-methyl-2-pyridyl)benzenesulfonamide
IUPAC Name: 4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C13H14N2O3S
MOLECULAR WEIGHT: 278.32686
SMILES: CC1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC
Structure:
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