CAS RN: 1857-19-8
CAS Name: 2-amino-N,N-dimethylacetamide
OPENEYE Name: 2-amino-N,N-dimethyl-acetamide
IUPAC Name: 2-amino-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-azanyl-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: CN(C)C(=O)CN
Structure:
CAS RN: 60178-20-3
CAS Name: 2-(tert-butylthio)acetic acid ethyl ester
OPENEYE Name: ethyl 2-tert-butylsulfanylacetate
IUPAC Name: ethyl 2-tert-butylsulfanylacetate
SYSTEMATIC NAME: ethyl 2-tert-butylsulfanylethanoate
MOLECULAR FORMULA: C8H16O2S
MOLECULAR WEIGHT: 176.27644
SMILES: CCOC(=O)CSC(C)(C)C
Structure:
CAS RN: 1124-95-4
CAS Name: 8-azaspiro[4.4]nonane-7,9-dione
OPENEYE Name: 8-azaspiro[4.4]nonane-7,9-dione
IUPAC Name: 8-azaspiro[4.4]nonane-7,9-dione
SYSTEMATIC NAME: 8-azaspiro[4.4]nonane-7,9-dione
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: C1CCC2(C1)CC(=O)NC2=O
Structure:
CAS RN: 63002-59-5
CAS Name: 2-(chloromethyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(chloromethyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole
IUPAC Name: 2-(chloromethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(chloromethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C13H10ClN3O2
MOLECULAR WEIGHT: 275.6904
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CCl
Structure:
CAS RN: 61122-82-5
CAS Name: 6-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-quinolin-2-one
OPENEYE Name: 6-(2-chloroacetyl)-3,4-dihydro-1H-quinolin-2-one
IUPAC Name: 6-(2-chloroacetyl)-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 6-(2-chloranylethanoyl)-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C11H10ClNO2
MOLECULAR WEIGHT: 223.6556
SMILES: C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCl
Structure:
CAS RN: 3406-74-4
CAS Name: 2-[(4-acetamidophenyl)thio]acetate
OPENEYE Name: 2-(4-acetamidophenyl)sulfanylacetate
IUPAC Name: 2-(4-acetamidophenyl)sulfanylacetate
SYSTEMATIC NAME: 2-(4-acetamidophenyl)sulfanylethanoate
MOLECULAR FORMULA: C10H10NO3S-
MOLECULAR WEIGHT: 224.2563
SMILES: CC(=O)NC1=CC=C(C=C1)SCC(=O)[O-]
Structure:
CAS RN: 51581-49-8
CAS Name: 3-(3-methoxyphenyl)-1H-imidazole-2-thione
OPENEYE Name: 3-(3-methoxyphenyl)-1H-imidazole-2-thione
IUPAC Name: 3-(3-methoxyphenyl)-1H-imidazole-2-thione
SYSTEMATIC NAME: 3-(3-methoxyphenyl)-1H-imidazole-2-thione
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: COC1=CC=CC(=C1)N2C=CNC2=S
Structure:
CAS RN: 94574-42-2
CAS Name: 6-phenyl-5-imidazo[2,1-b]thiazolamine
OPENEYE Name: 6-phenylimidazo[2,1-b]thiazol-5-amine
IUPAC Name: 6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SYSTEMATIC NAME: 6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
MOLECULAR FORMULA: C11H9N3S
MOLECULAR WEIGHT: 215.27426
SMILES: C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)N
Structure:
CAS RN: 29182-45-4
CAS Name: 2-(1,3-benzothiazol-2-yl)acetic acid
OPENEYE Name: 2-(1,3-benzothiazol-2-yl)acetic acid
IUPAC Name: 2-(1,3-benzothiazol-2-yl)acetic acid
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)ethanoic acid
MOLECULAR FORMULA: C9H7NO2S
MOLECULAR WEIGHT: 193.22238
SMILES: C1=CC=C2C(=C1)N=C(S2)CC(=O)O
Structure:
CAS RN: 10583-84-3
CAS Name: 3-propyl-1H-imidazole-2-thione
OPENEYE Name: 3-propyl-1H-imidazole-2-thione
IUPAC Name: 3-propyl-1H-imidazole-2-thione
SYSTEMATIC NAME: 3-propyl-1H-imidazole-2-thione
MOLECULAR FORMULA: C6H10N2S
MOLECULAR WEIGHT: 142.222
SMILES: CCCN1C=CNC1=S
Structure:
CAS RN: 850374-97-9
CAS Name: 4-(5-formyl-4-methyl-2-thiazolyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(5-formyl-4-methyl-thiazol-2-yl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(5-methanoyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
MOLECULAR FORMULA: C15H22N2O3S
MOLECULAR WEIGHT: 310.41178
SMILES: CC1=C(SC(=N1)C2CCN(CC2)C(=O)OC(C)(C)C)C=O
Structure:
CAS RN: 852227-86-2
CAS Name: 5-(chloromethyl)-1,3-dimethylpyrazole
OPENEYE Name: 5-(chloromethyl)-1,3-dimethyl-pyrazole
IUPAC Name: 5-(chloromethyl)-1,3-dimethylpyrazole
SYSTEMATIC NAME: 5-(chloromethyl)-1,3-dimethyl-pyrazole
MOLECULAR FORMULA: C6H9ClN2
MOLECULAR WEIGHT: 144.60206
SMILES: CC1=NN(C(=C1)CCl)C
Structure:
CAS RN: 197846-82-5
CAS Name: 4-(3-bromophenyl)morpholine
OPENEYE Name: 4-(3-bromophenyl)morpholine
IUPAC Name: 4-(3-bromophenyl)morpholine
SYSTEMATIC NAME: 4-(3-bromophenyl)morpholine
MOLECULAR FORMULA: C10H12BrNO
MOLECULAR WEIGHT: 242.11238
SMILES: C1COCCN1C2=CC(=CC=C2)Br
Structure:
CAS RN: 349480-74-6
CAS Name: 6-imidazo[2,1-b]thiazolylmethanol
OPENEYE Name: imidazo[2,1-b]thiazol-6-ylmethanol
IUPAC Name: imidazo[2,1-b][1,3]thiazol-6-ylmethanol
SYSTEMATIC NAME: imidazo[2,1-b][1,3]thiazol-6-ylmethanol
MOLECULAR FORMULA: C6H6N2OS
MOLECULAR WEIGHT: 154.18964
SMILES: C1=CSC2=NC(=CN21)CO
Structure:
CAS RN: 118000-43-4
CAS Name: 2-imidazo[1,2-a]pyridinecarboxaldehyde
OPENEYE Name: imidazo[1,2-a]pyridine-2-carbaldehyde
IUPAC Name: imidazo[1,2-a]pyridine-2-carbaldehyde
SYSTEMATIC NAME: imidazo[1,2-a]pyridine-2-carbaldehyde
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC2=NC(=CN2C=C1)C=O
Structure:
CAS RN: 153789-22-1
CAS Name: N-cyclopentylcarbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-cyclopentylcarbamate
IUPAC Name: tert-butyl N-cyclopentylcarbamate
SYSTEMATIC NAME: tert-butyl N-cyclopentylcarbamate
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: CC(C)(C)OC(=O)NC1CCCC1
Structure:
CAS RN: 5290-59-5
CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-[2-(1-naphthalenyloxy)ethyl]-1-piperazinyl]-4-oxobutanamide
OPENEYE Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(1-naphthyloxy)ethyl]piperazin-1-yl]-4-oxo-butanamide
IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxobutanamide
SYSTEMATIC NAME: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxidanylidene-butanamide
MOLECULAR FORMULA: C26H33N5O3S
MOLECULAR WEIGHT: 495.63692
SMILES: CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CCOC3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 96-91-3
CAS Name: 2-amino-4,6-dinitrophenol
OPENEYE Name: 2-amino-4,6-dinitro-phenol
IUPAC Name: 2-amino-4,6-dinitrophenol
SYSTEMATIC NAME: 2-azanyl-4,6-dinitro-phenol
MOLECULAR FORMULA: C6H5N3O5
MOLECULAR WEIGHT: 199.121
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-]
Structure:
CAS RN: 7037-64-1
CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxy-phenyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxy-phenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C31H28N2O8S
MOLECULAR WEIGHT: 588.62762
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)OCC)OC
Structure:
CAS RN: 114561-15-8
CAS Name: 3-(hydroxymethyl)-1-methyl-2-quinolinone
OPENEYE Name: 3-(hydroxymethyl)-1-methyl-quinolin-2-one
IUPAC Name: 3-(hydroxymethyl)-1-methylquinolin-2-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-1-methyl-quinolin-2-one
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CN1C2=CC=CC=C2C=C(C1=O)CO
Structure:
CAS RN: 879566-77-5
CAS Name: 3-(chloromethyl)-1-methyl-2-quinolinone
OPENEYE Name: 3-(chloromethyl)-1-methyl-quinolin-2-one
IUPAC Name: 3-(chloromethyl)-1-methylquinolin-2-one
SYSTEMATIC NAME: 3-(chloromethyl)-1-methyl-quinolin-2-one
MOLECULAR FORMULA: C11H10ClNO
MOLECULAR WEIGHT: 207.6562
SMILES: CN1C2=CC=CC=C2C=C(C1=O)CCl
Structure:
CAS RN: 67735-60-8
CAS Name: 1-methyl-2-oxo-3-quinolinecarboxaldehyde
OPENEYE Name: 1-methyl-2-oxo-quinoline-3-carbaldehyde
IUPAC Name: 1-methyl-2-oxoquinoline-3-carbaldehyde
SYSTEMATIC NAME: 1-methyl-2-oxidanylidene-quinoline-3-carbaldehyde
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CN1C2=CC=CC=C2C=C(C1=O)C=O
Structure:
CAS RN: 4027-59-2
CAS Name: 5-ethyl-1H-pyrazole-3-carboxylic acid
OPENEYE Name: 5-ethyl-1H-pyrazole-3-carboxylic acid
IUPAC Name: 5-ethyl-1H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-1H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: CCC1=CC(=NN1)C(=O)O
Structure:
CAS RN: 115010-10-1
CAS Name: 1,3-benzodioxole-5-sulfonyl chloride
OPENEYE Name: 1,3-benzodioxole-5-sulfonyl chloride
IUPAC Name: 1,3-benzodioxole-5-sulfonyl chloride
SYSTEMATIC NAME: 1,3-benzodioxole-5-sulfonyl chloride
MOLECULAR FORMULA: C7H5ClO4S
MOLECULAR WEIGHT: 220.6302
SMILES: C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 38275-37-5
CAS Name: 5-bromo-2-methoxy-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-bromo-2-methoxy-pyrimidine-4-carboxylic acid
IUPAC Name: 5-bromo-2-methoxypyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C6H5BrN2O3
MOLECULAR WEIGHT: 233.0195
SMILES: COC1=NC=C(C(=N1)C(=O)O)Br
Structure:
CAS RN: 115118-68-8
CAS Name: 3,3-dimethoxycyclobutane-1,1-dicarboxylic acid dipropan-2-yl ester
OPENEYE Name: diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
IUPAC Name: dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
SYSTEMATIC NAME: dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
MOLECULAR FORMULA: C14H24O6
MOLECULAR WEIGHT: 288.33676
SMILES: CC(C)OC(=O)C1(CC(C1)(OC)OC)C(=O)OC(C)C
Structure:
CAS RN: 23761-23-1
CAS Name: 3-oxo-1-cyclobutanecarboxylic acid
OPENEYE Name: 3-oxocyclobutanecarboxylic acid
IUPAC Name: 3-oxocyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-oxidanylidenecyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: C1C(CC1=O)C(=O)O
Structure:
CAS RN: 89891-65-6
CAS Name: 7-bromo-2-chloroquinoxaline
OPENEYE Name: 7-bromo-2-chloro-quinoxaline
IUPAC Name: 7-bromo-2-chloroquinoxaline
SYSTEMATIC NAME: 7-bromanyl-2-chloranyl-quinoxaline
MOLECULAR FORMULA: C8H4BrClN2
MOLECULAR WEIGHT: 243.48776
SMILES: C1=CC2=NC=C(N=C2C=C1Br)Cl
Structure:
CAS RN: 23585-49-1
CAS Name: 1H-pyrazol-5-ylmethanol
OPENEYE Name: 1H-pyrazol-5-ylmethanol
IUPAC Name: 1H-pyrazol-5-ylmethanol
SYSTEMATIC NAME: 1H-pyrazol-5-ylmethanol
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: C1=C(NN=C1)CO
Structure:
CAS RN: 883291-48-3
CAS Name: 3-methoxy-5-(1-tetrazolyl)aniline
OPENEYE Name: 3-methoxy-5-(tetrazol-1-yl)aniline
IUPAC Name: 3-methoxy-5-(tetrazol-1-yl)aniline
SYSTEMATIC NAME: 3-methoxy-5-(1,2,3,4-tetrazol-1-yl)aniline
MOLECULAR FORMULA: C8H9N5O
MOLECULAR WEIGHT: 191.18996
SMILES: COC1=CC(=CC(=C1)N)N2C=NN=N2
Structure:
CAS RN: 85386-94-3
CAS Name: 2-chloro-3-fluoro-1-oxidopyridin-1-ium
OPENEYE Name: 2-chloro-3-fluoro-1-oxido-pyridin-1-ium
IUPAC Name: 2-chloro-3-fluoro-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 2-chloranyl-3-fluoranyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C5H3ClFNO
MOLECULAR WEIGHT: 147.534823
SMILES: C1=CC(=C([N+](=C1)[O-])Cl)F
Structure:
CAS RN: 351994-81-5
CAS Name: 3-(1-tetrazolyl)benzohydrazide
OPENEYE Name: 3-(tetrazol-1-yl)benzohydrazide
IUPAC Name: 3-(tetrazol-1-yl)benzohydrazide
SYSTEMATIC NAME: 3-(1,2,3,4-tetrazol-1-yl)benzohydrazide
MOLECULAR FORMULA: C8H8N6O
MOLECULAR WEIGHT: 204.18872
SMILES: C1=CC(=CC(=C1)N2C=NN=N2)C(=O)NN
Structure:
CAS RN: 883291-45-0
CAS Name: [4-(2-methyl-1-imidazolyl)phenyl]methanamine
OPENEYE Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine
IUPAC Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine
SYSTEMATIC NAME: [4-(2-methylimidazol-1-yl)phenyl]methanamine
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: CC1=NC=CN1C2=CC=C(C=C2)CN
Structure:
CAS RN: 93906-75-3
CAS Name: 3-(1-imidazolyl)-1-phenyl-1-propanamine
OPENEYE Name: 3-imidazol-1-yl-1-phenyl-propan-1-amine
IUPAC Name: 3-imidazol-1-yl-1-phenylpropan-1-amine
SYSTEMATIC NAME: 3-imidazol-1-yl-1-phenyl-propan-1-amine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: C1=CC=C(C=C1)C(CCN2C=CN=C2)N
Structure:
CAS RN: 53484-17-6
CAS Name: 1-methyl-5-benzimidazolecarboxylic acid
OPENEYE Name: 1-methylbenzimidazole-5-carboxylic acid
IUPAC Name: 1-methylbenzimidazole-5-carboxylic acid
SYSTEMATIC NAME: 1-methylbenzimidazole-5-carboxylic acid
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CN1C=NC2=C1C=CC(=C2)C(=O)O
Structure:
CAS RN: 71322-99-1
CAS Name: 2-methyl-4-piperidinone
OPENEYE Name: 2-methylpiperidin-4-one
IUPAC Name: 2-methylpiperidin-4-one
SYSTEMATIC NAME: 2-methylpiperidin-4-one
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: CC1CC(=O)CCN1
Structure:
CAS RN: 23084-36-8
CAS Name: 5-methoxy-1H-indole-3-carbonitrile
OPENEYE Name: 5-methoxy-1H-indole-3-carbonitrile
IUPAC Name: 5-methoxy-1H-indole-3-carbonitrile
SYSTEMATIC NAME: 5-methoxy-1H-indole-3-carbonitrile
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: COC1=CC2=C(C=C1)NC=C2C#N
Structure:
CAS RN: 55904-61-5
CAS Name: 4-amino-1H-pyrazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-amino-1H-pyrazole-5-carboxylate
IUPAC Name: ethyl 4-amino-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CCOC(=O)C1=C(C=NN1)N
Structure:
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