CAS RN: 89531-58-8
CAS Name: 2-(4-morpholinyl)acetic acid hydrochloride
OPENEYE Name: 2-morpholinoacetic acid hydrochloride
IUPAC Name: 2-morpholin-4-ylacetic acid hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethanoic acid hydrochloride
MOLECULAR FORMULA: C6H12ClNO3
MOLECULAR WEIGHT: 181.61738
SMILES: C1COCCN1CC(=O)O.Cl
Structure:
CAS RN: 373608-48-1
CAS Name: 4-(3-aminopropyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(3-azanylpropyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C12H25N3O2
MOLECULAR WEIGHT: 243.3458
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCCN
Structure:
CAS RN: 4677-18-3
CAS Name: 2-(4-oxanyl)ethanol
OPENEYE Name: 2-tetrahydropyran-4-ylethanol
IUPAC Name: 2-(oxan-4-yl)ethanol
SYSTEMATIC NAME: 2-(oxan-4-yl)ethanol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: C1COCCC1CCO
Structure:
CAS RN: 65626-23-5
CAS Name: 2-(4-oxanyl)acetaldehyde
OPENEYE Name: 2-tetrahydropyran-4-ylacetaldehyde
IUPAC Name: 2-(oxan-4-yl)acetaldehyde
SYSTEMATIC NAME: 2-(oxan-4-yl)ethanal
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: C1COCCC1CC=O
Structure:
CAS RN: 595-39-1
CAS Name: 2-amino-2-methylbutanoic acid hydrochloride
OPENEYE Name: 2-amino-2-methyl-butanoic acid hydrochloride
IUPAC Name: 2-amino-2-methylbutanoic acid hydrochloride
SYSTEMATIC NAME: 2-azanyl-2-methyl-butanoic acid hydrochloride
MOLECULAR FORMULA: C5H12ClNO2
MOLECULAR WEIGHT: 153.60728
SMILES: CCC(C)(C(=O)O)N.Cl
Structure:
CAS RN: 304693-66-1
CAS Name: 2-(trifluoromethyl)-5-pyrimidinecarboxaldehyde
OPENEYE Name: 2-(trifluoromethyl)pyrimidine-5-carbaldehyde
IUPAC Name: 2-(trifluoromethyl)pyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-(trifluoromethyl)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C6H3F3N2O
MOLECULAR WEIGHT: 176.09603
SMILES: C1=C(C=NC(=N1)C(F)(F)F)C=O
Structure:
CAS RN: 23256-40-8
CAS Name: 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine hydrochloride
OPENEYE Name: 2-[(E)-(2,6-dichlorophenyl)methyleneamino]-1-hydroxy-guanidine hydrochloride
IUPAC Name: 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine hydrochloride
SYSTEMATIC NAME: 2-[(E)-[2,6-bis(chloranyl)phenyl]methylideneamino]-1-oxidanyl-guanidine hydrochloride
MOLECULAR FORMULA: C8H9Cl3N4O
MOLECULAR WEIGHT: 283.54226
SMILES: C1=CC(=C(C(=C1)Cl)/C=N/N=C(/N)\NO)Cl.Cl
Structure:
CAS RN: 207598-17-2
CAS Name: 4-[2-(3-tert-butylphenyl)ethoxy]quinazoline
OPENEYE Name: 4-[2-(3-tert-butylphenyl)ethoxy]quinazoline
IUPAC Name: 4-[2-(3-tert-butylphenyl)ethoxy]quinazoline
SYSTEMATIC NAME: 4-[2-(3-tert-butylphenyl)ethoxy]quinazoline
MOLECULAR FORMULA: C20H22N2O
MOLECULAR WEIGHT: 306.40148
SMILES: CC(C)(C)C1=CC=CC(=C1)CCOC2=NC=NC3=CC=CC=C32
Structure:
CAS RN: 927636-54-2
CAS Name: (7E)-deca-7,9-dienoic acid butyl ester
OPENEYE Name: butyl (7E)-deca-7,9-dienoate
IUPAC Name: butyl (7E)-deca-7,9-dienoate
SYSTEMATIC NAME: butyl (7E)-deca-7,9-dienoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CCCCOC(=O)CCCCC/C=C/C=C
Structure:
CAS RN: 927636-45-1
CAS Name: 6-ethyl-2-(4-morpholinyl)-1H-pyrimidin-4-one
OPENEYE Name: 6-ethyl-2-morpholino-1H-pyrimidin-4-one
IUPAC Name: 6-ethyl-2-morpholin-4-yl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-ethyl-2-morpholin-4-yl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CCC1=CC(=O)N=C(N1)N2CCOCC2
Structure:
CAS RN: 24042-25-9
CAS Name: 2-(dimethylamino)-6-ethyl-1H-pyrimidin-4-one
OPENEYE Name: 2-(dimethylamino)-6-ethyl-1H-pyrimidin-4-one
IUPAC Name: 2-(dimethylamino)-6-ethyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-(dimethylamino)-6-ethyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H13N3O
MOLECULAR WEIGHT: 167.20832
SMILES: CCC1=CC(=O)N=C(N1)N(C)C
Structure:
CAS RN: 40500-01-4
CAS Name: 2-(2-oxanyl)ethanamine
OPENEYE Name: 2-tetrahydropyran-2-ylethanamine
IUPAC Name: 2-(oxan-2-yl)ethanamine
SYSTEMATIC NAME: 2-(oxan-2-yl)ethanamine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: C1CCOC(C1)CCN
Structure:
CAS RN: 862507-33-3
CAS Name: 2-propan-2-yloxy-4-pyridinecarboxylic acid
OPENEYE Name: 2-isopropoxypyridine-4-carboxylic acid
IUPAC Name: 2-propan-2-yloxypyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-propan-2-yloxypyridine-4-carboxylic acid
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: CC(C)OC1=NC=CC(=C1)C(=O)O
Structure:
CAS RN: 22048-88-0
CAS Name: 1,2,3,4-tetrahydroquinoline-7-carboxylic acid
OPENEYE Name: 1,2,3,4-tetrahydroquinoline-7-carboxylic acid
IUPAC Name: 1,2,3,4-tetrahydroquinoline-7-carboxylic acid
SYSTEMATIC NAME: 1,2,3,4-tetrahydroquinoline-7-carboxylic acid
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1CC2=C(C=C(C=C2)C(=O)O)NC1
Structure:
CAS RN: 6705-34-6
CAS Name: 3-(2-pyrazinyl)propanoic acid
OPENEYE Name: 3-pyrazin-2-ylpropanoic acid
IUPAC Name: 3-pyrazin-2-ylpropanoic acid
SYSTEMATIC NAME: 3-pyrazin-2-ylpropanoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CN=C(C=N1)CCC(=O)O
Structure:
CAS RN: 23077-43-2
CAS Name: 5-fluoro-1H-indole-3-carboxylic acid
OPENEYE Name: 5-fluoro-1H-indole-3-carboxylic acid
IUPAC Name: 5-fluoro-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 5-fluoranyl-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C9H6FNO2
MOLECULAR WEIGHT: 179.147843
SMILES: C1=CC2=C(C=C1F)C(=CN2)C(=O)O
Structure:
CAS RN: 601519-76-0
CAS Name: 5-(chloromethyl)-3-(2-phenylmethoxyphenyl)isoxazole
OPENEYE Name: 3-(2-benzyloxyphenyl)-5-(chloromethyl)isoxazole
IUPAC Name: 5-(chloromethyl)-3-(2-phenylmethoxyphenyl)-1,2-oxazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-(2-phenylmethoxyphenyl)-1,2-oxazole
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C3=NOC(=C3)CCl
Structure:
CAS RN: 625458-06-2
CAS Name: 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
OPENEYE Name: 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
IUPAC Name: 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SYSTEMATIC NAME: 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
MOLECULAR FORMULA: C14H8ClF3N2O
MOLECULAR WEIGHT: 312.67433
SMILES: C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)C(F)(F)F)NC2=O
Structure:
CAS RN: 1463-72-5
CAS Name: 3,7-dimethyl-1H-indole-2-carboxaldehyde
OPENEYE Name: 3,7-dimethyl-1H-indole-2-carbaldehyde
IUPAC Name: 3,7-dimethyl-1H-indole-2-carbaldehyde
SYSTEMATIC NAME: 3,7-dimethyl-1H-indole-2-carbaldehyde
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CC1=CC=CC2=C1NC(=C2C)C=O
Structure:
CAS RN: 910442-16-9
CAS Name: 7-chloro-3-methyl-1H-indole-2-carboxaldehyde
OPENEYE Name: 7-chloro-3-methyl-1H-indole-2-carbaldehyde
IUPAC Name: 7-chloro-3-methyl-1H-indole-2-carbaldehyde
SYSTEMATIC NAME: 7-chloranyl-3-methyl-1H-indole-2-carbaldehyde
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC1=C(NC2=C1C=CC=C2Cl)C=O
Structure:
CAS RN: 910442-12-5
CAS Name: 4,9-diazaspiro[5.5]undecan-5-one
OPENEYE Name: 4,9-diazaspiro[5.5]undecan-5-one
IUPAC Name: 4,9-diazaspiro[5.5]undecan-5-one
SYSTEMATIC NAME: 4,9-diazaspiro[5.5]undecan-5-one
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: C1CC2(CCNCC2)C(=O)NC1
Structure:
CAS RN: 910442-11-4
CAS Name: 1-(3-acetyl-1,2-dihydroquinolin-2-yl)ethanone
OPENEYE Name: 1-(3-acetyl-1,2-dihydroquinolin-2-yl)ethanone
IUPAC Name: 1-(3-acetyl-1,2-dihydroquinolin-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-ethanoyl-1,2-dihydroquinolin-2-yl)ethanone
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC(=O)C1C(=CC2=CC=CC=C2N1)C(=O)C
Structure:
CAS RN: 52137-65-2
CAS Name: 2,3,6-trichloro-4-methylpyridine
OPENEYE Name: 2,3,6-trichloro-4-methyl-pyridine
IUPAC Name: 2,3,6-trichloro-4-methylpyridine
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)-4-methyl-pyridine
MOLECULAR FORMULA: C6H4Cl3N
MOLECULAR WEIGHT: 196.46166
SMILES: CC1=CC(=NC(=C1Cl)Cl)Cl
Structure:
CAS RN: 34159-03-0
CAS Name: N-(4-chloro-2-formylphenyl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(4-chloro-2-formyl-phenyl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(4-chloro-2-formylphenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(4-chloranyl-2-methanoyl-phenyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C14H12ClNO3S
MOLECULAR WEIGHT: 309.76798
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C=O
Structure:
CAS RN: 3816-66-8
CAS Name: 3-hydroxy-4-methylbenzonitrile
OPENEYE Name: 3-hydroxy-4-methyl-benzonitrile
IUPAC Name: 3-hydroxy-4-methylbenzonitrile
SYSTEMATIC NAME: 4-methyl-3-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H7NO
MOLECULAR WEIGHT: 133.14728
SMILES: CC1=C(C=C(C=C1)C#N)O
Structure:
CAS RN: 1625-80-5
CAS Name: 5-(3-pyridinyl)-3-pyridinesulfonic acid
OPENEYE Name: 5-(3-pyridyl)pyridine-3-sulfonic acid
IUPAC Name: 5-pyridin-3-ylpyridine-3-sulfonic acid
SYSTEMATIC NAME: 5-pyridin-3-ylpyridine-3-sulfonic acid
MOLECULAR FORMULA: C10H8N2O3S
MOLECULAR WEIGHT: 236.24712
SMILES: C1=CC(=CN=C1)C2=CC(=CN=C2)S(=O)(=O)O
Structure:
CAS RN: 65944-12-9
CAS Name: 2-(2-quinolinyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(2-quinolyl)-1,3,4-oxadiazole
IUPAC Name: 2-quinolin-2-yl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-quinolin-2-yl-1,3,4-oxadiazole
MOLECULAR FORMULA: C11H7N3O
MOLECULAR WEIGHT: 197.19278
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=NN=CO3
Structure:
CAS RN: 577776-75-1
CAS Name: 4-(2-furanyl)-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 4-(2-furyl)-3-oxo-butanoate
IUPAC Name: ethyl 4-(furan-2-yl)-3-oxobutanoate
SYSTEMATIC NAME: ethyl 4-(furan-2-yl)-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CCOC(=O)CC(=O)CC1=CC=CO1
Structure:
CAS RN: 36714-84-8
CAS Name: N,N,2-trimethyl-5-nitroaniline
OPENEYE Name: N,N,2-trimethyl-5-nitro-aniline
IUPAC Name: N,N,2-trimethyl-5-nitroaniline
SYSTEMATIC NAME: N,N,2-trimethyl-5-nitro-aniline
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N(C)C
Structure:
CAS RN: 910442-09-0
CAS Name: 5-methyl-4-methylsulfonyl-2-furancarboxylic acid
OPENEYE Name: 5-methyl-4-methylsulfonyl-furan-2-carboxylic acid
IUPAC Name: 5-methyl-4-methylsulfonylfuran-2-carboxylic acid
SYSTEMATIC NAME: 5-methyl-4-methylsulfonyl-furan-2-carboxylic acid
MOLECULAR FORMULA: C7H8O5S
MOLECULAR WEIGHT: 204.20042
SMILES: CC1=C(C=C(O1)C(=O)O)S(=O)(=O)C
Structure:
CAS RN: 300390-93-6
CAS Name: 2-[4-(4-aminophenyl)-1-imidazolyl]acetic acid
OPENEYE Name: 2-[4-(4-aminophenyl)imidazol-1-yl]acetic acid
IUPAC Name: 2-[4-(4-aminophenyl)imidazol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[4-(4-aminophenyl)imidazol-1-yl]ethanoic acid
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: C1=CC(=CC=C1C2=CN(C=N2)CC(=O)O)N
Structure:
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