CAS RN: 1132642-95-5
CAS Name: (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
OPENEYE Name: (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
IUPAC Name: (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
SYSTEMATIC NAME: (4S)-6-chloranyl-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
MOLECULAR FORMULA: C14H9ClF3NO2
MOLECULAR WEIGHT: 320.705778
SMILES: [2H]C1(C(C1([2H])C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)([2H])[2H])[2H]
Structure:
CAS RN: 85187-20-8
CAS Name: (E)-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)-2-butenoic acid
OPENEYE Name: (E)-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoic acid
IUPAC Name: (E)-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoic acid
SYSTEMATIC NAME: (E)-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoic acid
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC1=CCC(C1(C)C)C/C=C/C(=O)O
Structure:
CAS RN: 959238-63-2
CAS Name: [1-(methylaminomethyl)cyclopropyl]methanol
OPENEYE Name: [1-(methylaminomethyl)cyclopropyl]methanol
IUPAC Name: [1-(methylaminomethyl)cyclopropyl]methanol
SYSTEMATIC NAME: [1-(methylaminomethyl)cyclopropyl]methanol
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CNCC1(CC1)CO
Structure:
CAS RN: 103755-57-3
CAS Name: 3-(4-aminophenyl)-1,4-dihydropyrazol-5-one
OPENEYE Name: 3-(4-aminophenyl)-1,4-dihydropyrazol-5-one
IUPAC Name: 3-(4-aminophenyl)-1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 3-(4-aminophenyl)-1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1C(=NNC1=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 959238-75-6
CAS Name: [4-(methylaminomethyl)-4-oxanyl]methanol
OPENEYE Name: [4-(methylaminomethyl)tetrahydropyran-4-yl]methanol
IUPAC Name: [4-(methylaminomethyl)oxan-4-yl]methanol
SYSTEMATIC NAME: [4-(methylaminomethyl)oxan-4-yl]methanol
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CNCC1(CCOCC1)CO
Structure:
CAS RN: 959238-70-1
CAS Name: [1-(methylaminomethyl)cyclopentyl]methanol
OPENEYE Name: [1-(methylaminomethyl)cyclopentyl]methanol
IUPAC Name: [1-(methylaminomethyl)cyclopentyl]methanol
SYSTEMATIC NAME: [1-(methylaminomethyl)cyclopentyl]methanol
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CNCC1(CCCC1)CO
Structure:
CAS RN: 959238-57-4
CAS Name: 2-ethyl-2-(methylaminomethyl)-1-butanol
OPENEYE Name: 2-ethyl-2-(methylaminomethyl)butan-1-ol
IUPAC Name: 2-ethyl-2-(methylaminomethyl)butan-1-ol
SYSTEMATIC NAME: 2-ethyl-2-(methylaminomethyl)butan-1-ol
MOLECULAR FORMULA: C8H19NO
MOLECULAR WEIGHT: 145.24256
SMILES: CCC(CC)(CNC)CO
Structure:
CAS RN: 180205-31-6
CAS Name: [1-(methylaminomethyl)cyclobutyl]methanol
OPENEYE Name: [1-(methylaminomethyl)cyclobutyl]methanol
IUPAC Name: [1-(methylaminomethyl)cyclobutyl]methanol
SYSTEMATIC NAME: [1-(methylaminomethyl)cyclobutyl]methanol
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CNCC1(CCC1)CO
Structure:
CAS RN: 1170024-12-0
CAS Name: 1-ethyl-5-methyl-4-nitro-3-pyrazolamine
OPENEYE Name: 1-ethyl-5-methyl-4-nitro-pyrazol-3-amine
IUPAC Name: 1-ethyl-5-methyl-4-nitropyrazol-3-amine
SYSTEMATIC NAME: 1-ethyl-5-methyl-4-nitro-pyrazol-3-amine
MOLECULAR FORMULA: C6H10N4O2
MOLECULAR WEIGHT: 170.1692
SMILES: CCN1C(=C(C(=N1)N)[N+](=O)[O-])C
Structure:
CAS RN: 1015846-76-0
CAS Name: 3-chloro-6-methyl-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
OPENEYE Name: 3-chloro-6-methyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
IUPAC Name: 3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-6-methyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
MOLECULAR FORMULA: C8H6ClN3O2
MOLECULAR WEIGHT: 211.60514
SMILES: CC1=CN2C(=C(C(=N2)C(=O)O)Cl)N=C1
Structure:
CAS RN: 912773-22-9
CAS Name: 6-bromo-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid
OPENEYE Name: 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
IUPAC Name: 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SYSTEMATIC NAME: 6-bromanylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
MOLECULAR FORMULA: C7H4BrN3O2
MOLECULAR WEIGHT: 242.02956
SMILES: C1=C(C=NC2=C(C=NN21)C(=O)O)Br
Structure:
CAS RN: 910321-93-6
CAS Name: 3-(2-methylpropyl)-5-isoxazolecarboxylic acid
OPENEYE Name: 3-isobutylisoxazole-5-carboxylic acid
IUPAC Name: 3-(2-methylpropyl)-1,2-oxazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(2-methylpropyl)-1,2-oxazole-5-carboxylic acid
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CC(C)CC1=NOC(=C1)C(=O)O
Structure:
CAS RN: 401647-22-1
CAS Name: N-methyl-1-(3-methyl-5-isoxazolyl)methanamine
OPENEYE Name: N-methyl-1-(3-methylisoxazol-5-yl)methanamine
IUPAC Name: N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SYSTEMATIC NAME: N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: CC1=NOC(=C1)CNC
Structure:
CAS RN: 1019456-17-7
CAS Name: 2-chloro-N-(1,3,4-thiadiazol-2-yl)propanamide
OPENEYE Name: 2-chloro-N-(1,3,4-thiadiazol-2-yl)propanamide
IUPAC Name: 2-chloro-N-(1,3,4-thiadiazol-2-yl)propanamide
SYSTEMATIC NAME: 2-chloranyl-N-(1,3,4-thiadiazol-2-yl)propanamide
MOLECULAR FORMULA: C5H6ClN3OS
MOLECULAR WEIGHT: 191.63864
SMILES: CC(C(=O)NC1=NN=CS1)Cl
Structure:
CAS RN: 94318-71-5
CAS Name: 2-chloro-N-propylpropanamide
OPENEYE Name: 2-chloro-N-propyl-propanamide
IUPAC Name: 2-chloro-N-propylpropanamide
SYSTEMATIC NAME: 2-chloranyl-N-propyl-propanamide
MOLECULAR FORMULA: C6H12ClNO
MOLECULAR WEIGHT: 149.61858
SMILES: CCCNC(=O)C(C)Cl
Structure:
CAS RN: 1018295-36-7
CAS Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetic acid
OPENEYE Name: 2-(2-methylindolin-1-yl)-2-oxo-acetic acid
IUPAC Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC1CC2=CC=CC=C2N1C(=O)C(=O)O
Structure:
CAS RN: 1015846-69-1
CAS Name: 2-(2-methylbutan-2-ylamino)-2-oxoacetic acid
OPENEYE Name: 2-(1,1-dimethylpropylamino)-2-oxo-acetic acid
IUPAC Name: 2-(2-methylbutan-2-ylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: CCC(C)(C)NC(=O)C(=O)O
Structure:
CAS RN: 1018565-99-5
CAS Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetic acid
OPENEYE Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-acetic acid
IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C(=O)O
Structure:
CAS RN: 959240-41-6
CAS Name: 2-(2,5-dimethylanilino)-2-oxoacetic acid
OPENEYE Name: 2-(2,5-dimethylanilino)-2-oxo-acetic acid
IUPAC Name: 2-(2,5-dimethylanilino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C(=O)O
Structure:
CAS RN: 959241-06-6
CAS Name: 2-(2,3-dimethylanilino)-2-oxoacetic acid
OPENEYE Name: 2-(2,3-dimethylanilino)-2-oxo-acetic acid
IUPAC Name: 2-(2,3-dimethylanilino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC1=C(C(=CC=C1)NC(=O)C(=O)O)C
Structure:
CAS RN: 130992-20-0
CAS Name: 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
OPENEYE Name: 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
IUPAC Name: 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
SYSTEMATIC NAME: 2-oxidanylidene-2-(1,3,4-thiadiazol-2-ylamino)ethanoic acid
MOLECULAR FORMULA: C4H3N3O3S
MOLECULAR WEIGHT: 173.14992
SMILES: C1=NN=C(S1)NC(=O)C(=O)O
Structure:
CAS RN: 1018295-15-2
CAS Name: 2-(3,5-dimethylanilino)-2-oxoacetic acid
OPENEYE Name: 2-(3,5-dimethylanilino)-2-oxo-acetic acid
IUPAC Name: 2-(3,5-dimethylanilino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC1=CC(=CC(=C1)NC(=O)C(=O)O)C
Structure:
CAS RN: 884504-86-3
CAS Name: 3-(2-oxo-1-imidazolidinyl)benzoic acid
OPENEYE Name: 3-(2-oxoimidazolidin-1-yl)benzoic acid
IUPAC Name: 3-(2-oxoimidazolidin-1-yl)benzoic acid
SYSTEMATIC NAME: 3-(2-oxidanylideneimidazolidin-1-yl)benzoic acid
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1CN(C(=O)N1)C2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 1158759-93-3
CAS Name: (4-ethyl-4-oxanyl)methanamine
OPENEYE Name: (4-ethyltetrahydropyran-4-yl)methanamine
IUPAC Name: (4-ethyloxan-4-yl)methanamine
SYSTEMATIC NAME: (4-ethyloxan-4-yl)methanamine
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCC1(CCOCC1)CN
Structure:
CAS RN: 1030520-58-1
CAS Name: 4-(ethylthio)-1,3,5-triazin-2-amine
OPENEYE Name: 4-ethylsulfanyl-1,3,5-triazin-2-amine
IUPAC Name: 4-ethylsulfanyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-ethylsulfanyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C5H8N4S
MOLECULAR WEIGHT: 156.20882
SMILES: CCSC1=NC=NC(=N1)N
Structure:
CAS RN: 1119452-31-1
CAS Name: 1-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-triazolecarboxylic acid
OPENEYE Name: 1-(1-tert-butoxycarbonyl-4-piperidyl)triazole-4-carboxylic acid
IUPAC Name: 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
SYSTEMATIC NAME: 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C13H20N4O4
MOLECULAR WEIGHT: 296.3223
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)C(=O)O
Structure:
CAS RN: 936940-75-9
CAS Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanamine
OPENEYE Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine
IUPAC Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine
SYSTEMATIC NAME: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CC1=C(C(=NN1)C)CCCN
Structure:
CAS RN: 912770-16-2
CAS Name: 6-(2-fluorophenyl)-3-imidazo[2,1-b]thiazolecarboxylic acid
OPENEYE Name: 6-(2-fluorophenyl)imidazo[2,1-b]thiazole-3-carboxylic acid
IUPAC Name: 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SYSTEMATIC NAME: 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
MOLECULAR FORMULA: C12H7FN2O2S
MOLECULAR WEIGHT: 262.259583
SMILES: C1=CC=C(C(=C1)C2=CN3C(=CSC3=N2)C(=O)O)F
Structure:
CAS RN: 912770-34-4
CAS Name: 6-(4-chlorophenyl)-3-imidazo[2,1-b]thiazolecarboxylic acid
OPENEYE Name: 6-(4-chlorophenyl)imidazo[2,1-b]thiazole-3-carboxylic acid
IUPAC Name: 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SYSTEMATIC NAME: 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
MOLECULAR FORMULA: C12H7ClN2O2S
MOLECULAR WEIGHT: 278.71418
SMILES: C1=CC(=CC=C1C2=CN3C(=CSC3=N2)C(=O)O)Cl
Structure:
CAS RN: 915923-05-6
CAS Name: 2-(3,5-dimethyl-4-isoxazolyl)ethanethiol
OPENEYE Name: 2-(3,5-dimethylisoxazol-4-yl)ethanethiol
IUPAC Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol
SYSTEMATIC NAME: 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol
MOLECULAR FORMULA: C7H11NOS
MOLECULAR WEIGHT: 157.23334
SMILES: CC1=C(C(=NO1)C)CCS
Structure:
CAS RN: 71548-32-8
CAS Name: (1-prop-2-enyl-3-pyrrolidinyl)methanol
OPENEYE Name: (1-allylpyrrolidin-3-yl)methanol
IUPAC Name: (1-prop-2-enylpyrrolidin-3-yl)methanol
SYSTEMATIC NAME: (1-prop-2-enylpyrrolidin-3-yl)methanol
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: C=CCN1CCC(C1)CO
Structure:
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