CAS RN: 4651-93-8
CAS Name: 2-amino-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C8H11NO2S
MOLECULAR WEIGHT: 185.24344
SMILES: CC1=C(SC(=C1C(=O)OC)N)C
Structure:
CAS RN: 312309-43-6
CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)acetic acid
OPENEYE Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetic acid
IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C7H9BrN2O2
MOLECULAR WEIGHT: 233.06256
SMILES: CC1=C(C(=NN1CC(=O)O)C)Br
Structure:
CAS RN: 376359-05-6
CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid
OPENEYE Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
SYSTEMATIC NAME: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)C
Structure:
CAS RN: 6367-58-4
CAS Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-indolecarboxaldehyde
OPENEYE Name: 1-[2-(4-tert-butylphenoxy)ethyl]indole-3-carbaldehyde
IUPAC Name: 1-[2-(4-tert-butylphenoxy)ethyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 1-[2-(4-tert-butylphenoxy)ethyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=O
Structure:
CAS RN: 4282-24-0
CAS Name: furan-2,3-dicarboxylic acid
OPENEYE Name: furan-2,3-dicarboxylic acid
IUPAC Name: furan-2,3-dicarboxylic acid
SYSTEMATIC NAME: furan-2,3-dicarboxylic acid
MOLECULAR FORMULA: C6H4O5
MOLECULAR WEIGHT: 156.09296
SMILES: C1=COC(=C1C(=O)O)C(=O)O
Structure:
CAS RN: 1827-27-6
CAS Name: 6-fluoro-3-pyridinamine
OPENEYE Name: 6-fluoropyridin-3-amine
IUPAC Name: 6-fluoropyridin-3-amine
SYSTEMATIC NAME: 6-fluoranylpyridin-3-amine
MOLECULAR FORMULA: C5H5FN2
MOLECULAR WEIGHT: 112.105003
SMILES: C1=CC(=NC=C1N)F
Structure:
CAS RN: 14716-87-1
CAS Name: 6-sulfanylidene-1H-pyridine-2-carboxylic acid
OPENEYE Name: 6-thioxo-1H-pyridine-2-carboxylic acid
IUPAC Name: 6-sulfanylidene-1H-pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-sulfanylidene-1H-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H5NO2S
MOLECULAR WEIGHT: 155.1744
SMILES: C1=CC(=S)NC(=C1)C(=O)O
Structure:
CAS RN: 17624-07-6
CAS Name: 6-sulfanylidene-1H-pyridine-3-carboxylic acid
OPENEYE Name: 6-thioxo-1H-pyridine-3-carboxylic acid
IUPAC Name: 6-sulfanylidene-1H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-sulfanylidene-1H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H5NO2S
MOLECULAR WEIGHT: 155.1744
SMILES: C1=CC(=S)NC=C1C(=O)O
Structure:
CAS RN: 18103-73-6
CAS Name: 4-sulfanylidene-1H-pyridine-3-carboxylic acid
OPENEYE Name: 4-thioxo-1H-pyridine-3-carboxylic acid
IUPAC Name: 4-sulfanylidene-1H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 4-sulfanylidene-1H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H5NO2S
MOLECULAR WEIGHT: 155.1744
SMILES: C1=CNC=C(C1=S)C(=O)O
Structure:
CAS RN: 39959-88-1
CAS Name: 1,3-bis(3-pyridinyl)urea
OPENEYE Name: 1,3-bis(3-pyridyl)urea
IUPAC Name: 1,3-dipyridin-3-ylurea
SYSTEMATIC NAME: 1,3-dipyridin-3-ylurea
MOLECULAR FORMULA: C11H10N4O
MOLECULAR WEIGHT: 214.2233
SMILES: C1=CC(=CN=C1)NC(=O)NC2=CN=CC=C2
Structure:
CAS RN: 52943-14-3
CAS Name: 2-(4-methyl-1-piperazinyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
IUPAC Name: 2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C11H14N4
MOLECULAR WEIGHT: 202.25566
SMILES: CN1CCN(CC1)C2=C(C=CC=N2)C#N
Structure:
CAS RN: 38240-29-8
CAS Name: 3-nitro-1H-pyridine-2-thione
OPENEYE Name: 3-nitro-1H-pyridine-2-thione
IUPAC Name: 3-nitro-1H-pyridine-2-thione
SYSTEMATIC NAME: 3-nitro-1H-pyridine-2-thione
MOLECULAR FORMULA: C5H4N2O2S
MOLECULAR WEIGHT: 156.16246
SMILES: C1=CNC(=S)C(=C1)[N+](=O)[O-]
Structure:
CAS RN: 3430-23-7
CAS Name: 3,5-dibromo-4-methylpyridine
OPENEYE Name: 3,5-dibromo-4-methyl-pyridine
IUPAC Name: 3,5-dibromo-4-methylpyridine
SYSTEMATIC NAME: 3,5-bis(bromanyl)-4-methyl-pyridine
MOLECULAR FORMULA: C6H5Br2N
MOLECULAR WEIGHT: 250.9186
SMILES: CC1=C(C=NC=C1Br)Br
Structure:
CAS RN: 95333-95-2
CAS Name: 3-(3,5-dichlorophenyl)propanoic acid
OPENEYE Name: 3-(3,5-dichlorophenyl)propanoic acid
IUPAC Name: 3-(3,5-dichlorophenyl)propanoic acid
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]propanoic acid
MOLECULAR FORMULA: C9H8Cl2O2
MOLECULAR WEIGHT: 219.06462
SMILES: C1=C(C=C(C=C1Cl)Cl)CCC(=O)O
Structure:
CAS RN: 623-16-5
CAS Name: (E)-3-(2-furanyl)-2-propenamide
OPENEYE Name: (E)-3-(2-furyl)prop-2-enamide
IUPAC Name: (E)-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: C1=COC(=C1)/C=C/C(=O)N
Structure:
CAS RN: 96991-48-9
CAS Name: (6R)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: (6R)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: (6R)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: (6R)-2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C10H14N2OS
MOLECULAR WEIGHT: 210.29596
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)N
Structure:
CAS RN: 5412-85-1
CAS Name: (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
OPENEYE Name: (2S)-2-(benzyloxycarbonylamino)-2-phenyl-acetic acid
IUPAC Name: (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
SYSTEMATIC NAME: (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethanoic acid
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 155444-28-3
CAS Name: N-(3-bromo-2-pyridinyl)acetamide
OPENEYE Name: N-(3-bromo-2-pyridyl)acetamide
IUPAC Name: N-(3-bromopyridin-2-yl)acetamide
SYSTEMATIC NAME: N-(3-bromanylpyridin-2-yl)ethanamide
MOLECULAR FORMULA: C7H7BrN2O
MOLECULAR WEIGHT: 215.04728
SMILES: CC(=O)NC1=C(C=CC=N1)Br
Structure:
CAS RN: 105752-11-2
CAS Name: 4-iodo-3-pyridinamine
OPENEYE Name: 4-iodopyridin-3-amine
IUPAC Name: 4-iodopyridin-3-amine
SYSTEMATIC NAME: 4-iodanylpyridin-3-amine
MOLECULAR FORMULA: C5H5IN2
MOLECULAR WEIGHT: 220.01107
SMILES: C1=CN=CC(=C1I)N
Structure:
CAS RN: 113975-33-0
CAS Name: N-(3-iodo-4-pyridinyl)-2,2-dimethylpropanamide
OPENEYE Name: N-(3-iodo-4-pyridyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(3-iodopyridin-4-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(3-iodanylpyridin-4-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C10H13IN2O
MOLECULAR WEIGHT: 304.12749
SMILES: CC(C)(C)C(=O)NC1=C(C=NC=C1)I
Structure:
CAS RN: 930-97-2
CAS Name: 3-iodo-2-thiophenecarboxaldehyde
OPENEYE Name: 3-iodothiophene-2-carbaldehyde
IUPAC Name: 3-iodothiophene-2-carbaldehyde
SYSTEMATIC NAME: 3-iodanylthiophene-2-carbaldehyde
MOLECULAR FORMULA: C5H3IOS
MOLECULAR WEIGHT: 238.04619
SMILES: C1=CSC(=C1I)C=O
Structure:
CAS RN: 23688-07-5
CAS Name: 3,5-dibromo-2-thiophenecarboxaldehyde
OPENEYE Name: 3,5-dibromothiophene-2-carbaldehyde
IUPAC Name: 3,5-dibromothiophene-2-carbaldehyde
SYSTEMATIC NAME: 3,5-bis(bromanyl)thiophene-2-carbaldehyde
MOLECULAR FORMULA: C5H2Br2OS
MOLECULAR WEIGHT: 269.94178
SMILES: C1=C(SC(=C1Br)C=O)Br
Structure:
CAS RN: 2373-76-4
CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(o-tolyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-methylphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-methylphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC1=CC=CC=C1/C=C/C(=O)O
Structure:
CAS RN: 15591-41-0
CAS Name: 2,3-dibromo-1,4-dimethyl-5-nitrobenzene
OPENEYE Name: 2,3-dibromo-1,4-dimethyl-5-nitro-benzene
IUPAC Name: 2,3-dibromo-1,4-dimethyl-5-nitrobenzene
SYSTEMATIC NAME: 2,3-bis(bromanyl)-1,4-dimethyl-5-nitro-benzene
MOLECULAR FORMULA: C8H7Br2NO2
MOLECULAR WEIGHT: 308.95468
SMILES: CC1=CC(=C(C(=C1Br)Br)C)[N+](=O)[O-]
Structure:
CAS RN: 76575-71-8
CAS Name: 3-amino-5-methyl-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-5-methyl-thiophene-2-carboxylate
IUPAC Name: methyl 3-amino-5-methylthiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-5-methyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: CC1=CC(=C(S1)C(=O)OC)N
Structure:
CAS RN: 36391-23-8
CAS Name: 1-(4-bromo-2-thiophenyl)-1-propanone
OPENEYE Name: 1-(4-bromo-2-thienyl)propan-1-one
IUPAC Name: 1-(4-bromothiophen-2-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-bromanylthiophen-2-yl)propan-1-one
MOLECULAR FORMULA: C7H7BrOS
MOLECULAR WEIGHT: 219.09888
SMILES: CCC(=O)C1=CC(=CS1)Br
Structure:
CAS RN: 14348-83-5
CAS Name: 1-(3-furanyl)ethanone
OPENEYE Name: 1-(3-furyl)ethanone
IUPAC Name: 1-(furan-3-yl)ethanone
SYSTEMATIC NAME: 1-(furan-3-yl)ethanone
MOLECULAR FORMULA: C6H6O2
MOLECULAR WEIGHT: 110.11064
SMILES: CC(=O)C1=COC=C1
Structure:
CAS RN: 4316-97-6
CAS Name: 4,6-dichloro-5-methylpyrimidine
OPENEYE Name: 4,6-dichloro-5-methyl-pyrimidine
IUPAC Name: 4,6-dichloro-5-methylpyrimidine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-5-methyl-pyrimidine
MOLECULAR FORMULA: C5H4Cl2N2
MOLECULAR WEIGHT: 163.00466
SMILES: CC1=C(N=CN=C1Cl)Cl
Structure:
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