CAS RN: 936563-96-1
CAS Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one
OPENEYE Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]prop-2-en-1-one
IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: 1-[(3R)-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C25H24N6O2
MOLECULAR WEIGHT: 440.49706
SMILES: C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N
Structure:
CAS RN: 56008-20-9
CAS Name: 3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
OPENEYE Name: 3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
IUPAC Name: 3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
SYSTEMATIC NAME: 3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1=CNC2=C1C(=O)CC(C2)(C)C
Structure:
CAS RN: 874781-09-6
CAS Name: 4-(difluoromethoxy)benzenesulfonamide
OPENEYE Name: 4-(difluoromethoxy)benzenesulfonamide
IUPAC Name: 4-(difluoromethoxy)benzenesulfonamide
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]benzenesulfonamide
MOLECULAR FORMULA: C7H7F2NO3S
MOLECULAR WEIGHT: 223.197186
SMILES: C1=CC(=CC=C1OC(F)F)S(=O)(=O)N
Structure:
CAS RN: 394709-83-2
CAS Name: 2-(2-piperazinyl)acetic acid methyl ester dihydrochloride
OPENEYE Name: methyl 2-piperazin-2-ylacetate dihydrochloride
IUPAC Name: methyl 2-piperazin-2-ylacetate dihydrochloride
SYSTEMATIC NAME: methyl 2-piperazin-2-ylethanoate dihydrochloride
MOLECULAR FORMULA: C7H16Cl2N2O2
MOLECULAR WEIGHT: 231.12014
SMILES: COC(=O)CC1CNCCN1.Cl.Cl
Structure:
CAS RN: 24622-62-6
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-pentanone hydrochloride
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-pentan-1-one hydrochloride
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylpentan-1-one hydrochloride
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-pentan-1-one hydrochloride
MOLECULAR FORMULA: C16H22ClNO3
MOLECULAR WEIGHT: 311.80378
SMILES: CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3.Cl
Structure:
CAS RN: 933696-71-0
CAS Name: 6-quinazolinylmethanamine
OPENEYE Name: quinazolin-6-ylmethanamine
IUPAC Name: quinazolin-6-ylmethanamine
SYSTEMATIC NAME: quinazolin-6-ylmethanamine
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC2=NC=NC=C2C=C1CN
Structure:
CAS RN: 925889-93-6
CAS Name: 2-methoxy-4-(1-piperazinyl)phenol
OPENEYE Name: 2-methoxy-4-piperazin-1-yl-phenol
IUPAC Name: 2-methoxy-4-piperazin-1-ylphenol
SYSTEMATIC NAME: 2-methoxy-4-piperazin-1-yl-phenol
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: COC1=C(C=CC(=C1)N2CCNCC2)O
Structure:
CAS RN: 896464-16-7
CAS Name: 2,7-diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
IUPAC Name: tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
SYSTEMATIC NAME: tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNC2
Structure:
CAS RN: 891180-59-9
CAS Name: 2-bromo-3-fluorobenzaldehyde
OPENEYE Name: 2-bromo-3-fluoro-benzaldehyde
IUPAC Name: 2-bromo-3-fluorobenzaldehyde
SYSTEMATIC NAME: 2-bromanyl-3-fluoranyl-benzaldehyde
MOLECULAR FORMULA: C7H4BrFO
MOLECULAR WEIGHT: 203.008463
SMILES: C1=CC(=C(C(=C1)F)Br)C=O
Structure:
CAS RN: 888504-28-7
CAS Name: potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
OPENEYE Name: potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
IUPAC Name: potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
SYSTEMATIC NAME: potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
MOLECULAR FORMULA: C4H3KN2O3
MOLECULAR WEIGHT: 166.17652
SMILES: CC1=NN=C(O1)C(=O)[O-].[K+]
Structure:
CAS RN: 885281-16-3
CAS Name: 3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
OPENEYE Name: 3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
IUPAC Name: 3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SYSTEMATIC NAME: 3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: C1CN2C(=NC=C2C3=CC=CC=C3)CN1
Structure:
CAS RN: 885272-17-3
CAS Name: 2,8-diazaspiro[3.5]nonane-8-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,8-diazaspiro[3.5]nonane-8-carboxylate
IUPAC Name: tert-butyl 2,8-diazaspiro[3.5]nonane-8-carboxylate
SYSTEMATIC NAME: tert-butyl 2,8-diazaspiro[3.5]nonane-8-carboxylate
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(C)(C)OC(=O)N1CCCC2(C1)CNC2
Structure:
CAS RN: 884494-49-9
CAS Name: 2-chloro-5-fluoro-4-iodopyridine
OPENEYE Name: 2-chloro-5-fluoro-4-iodo-pyridine
IUPAC Name: 2-chloro-5-fluoro-4-iodopyridine
SYSTEMATIC NAME: 2-chloranyl-5-fluoranyl-4-iodanyl-pyridine
MOLECULAR FORMULA: C5H2ClFIN
MOLECULAR WEIGHT: 257.431953
SMILES: C1=C(C(=CN=C1Cl)F)I
Structure:
CAS RN: 884494-48-8
CAS Name: 2-fluoro-3-iodo-6-methylpyridine
OPENEYE Name: 2-fluoro-3-iodo-6-methyl-pyridine
IUPAC Name: 2-fluoro-3-iodo-6-methylpyridine
SYSTEMATIC NAME: 2-fluoranyl-3-iodanyl-6-methyl-pyridine
MOLECULAR FORMULA: C6H5FIN
MOLECULAR WEIGHT: 237.013473
SMILES: CC1=NC(=C(C=C1)I)F
Structure:
CAS RN: 881891-82-3
CAS Name: 2-chloro-3-fluoro-4-methylpyridine
OPENEYE Name: 2-chloro-3-fluoro-4-methyl-pyridine
IUPAC Name: 2-chloro-3-fluoro-4-methylpyridine
SYSTEMATIC NAME: 2-chloranyl-3-fluoranyl-4-methyl-pyridine
MOLECULAR FORMULA: C6H5ClFN
MOLECULAR WEIGHT: 145.562003
SMILES: CC1=C(C(=NC=C1)Cl)F
Structure:
CAS RN: 87600-98-4
CAS Name: 4,6-dichloro-5-pyrimidinecarboxylic acid
OPENEYE Name: 4,6-dichloropyrimidine-5-carboxylic acid
IUPAC Name: 4,6-dichloropyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 4,6-bis(chloranyl)pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C5H2Cl2N2O2
MOLECULAR WEIGHT: 192.98758
SMILES: C1=NC(=C(C(=N1)Cl)C(=O)O)Cl
Structure:
CAS RN: 875166-92-0
CAS Name: 3-fluoro-2-methylbenzenesulfonyl chloride
OPENEYE Name: 3-fluoro-2-methyl-benzenesulfonyl chloride
IUPAC Name: 3-fluoro-2-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 3-fluoranyl-2-methyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H6ClFO2S
MOLECULAR WEIGHT: 208.637743
SMILES: CC1=C(C=CC=C1S(=O)(=O)Cl)F
Structure:
CAS RN: 869725-56-4
CAS Name: 3-[2-bromo-5-(trifluoromethyl)phenyl]propanoic acid
OPENEYE Name: 3-[2-bromo-5-(trifluoromethyl)phenyl]propanoic acid
IUPAC Name: 3-[2-bromo-5-(trifluoromethyl)phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-bromanyl-5-(trifluoromethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C10H8BrF3O2
MOLECULAR WEIGHT: 297.06853
SMILES: C1=CC(=C(C=C1C(F)(F)F)CCC(=O)O)Br
Structure:
CAS RN: 86153-25-5
CAS Name: 7-bromo-1H-indole-3-carboxylic acid
OPENEYE Name: 7-bromo-1H-indole-3-carboxylic acid
IUPAC Name: 7-bromo-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 7-bromanyl-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C9H6BrNO2
MOLECULAR WEIGHT: 240.05344
SMILES: C1=CC2=C(C(=C1)Br)NC=C2C(=O)O
Structure:
CAS RN: 859027-48-8
CAS Name: (3R)-3-[(dimethylamino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C12H24N2O2
MOLECULAR WEIGHT: 228.33116
SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C1)CN(C)C
Structure:
CAS RN: 83949-34-2
CAS Name: sodium 4-(4-acetyl-1-piperazinyl)phenolate
OPENEYE Name: sodium 4-(4-acetylpiperazin-1-yl)phenolate
IUPAC Name: sodium 4-(4-acetylpiperazin-1-yl)phenolate
SYSTEMATIC NAME: sodium 4-(4-ethanoylpiperazin-1-yl)phenolate
MOLECULAR FORMULA: C12H15N2NaO2
MOLECULAR WEIGHT: 242.24947
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)[O-].[Na+]
Structure:
CAS RN: 83649-47-2
CAS Name: (3S)-3-amino-3-phenylpropanoic acid hydrochloride
OPENEYE Name: (3S)-3-amino-3-phenyl-propanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-3-phenylpropanoic acid hydrochloride
SYSTEMATIC NAME: (3S)-3-azanyl-3-phenyl-propanoic acid hydrochloride
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: C1=CC=C(C=C1)[C@H](CC(=O)O)N.Cl
Structure:
CAS RN: 773136-66-6
CAS Name: 2-fluoro-5-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 2-fluoro-5-iodo-benzoate
IUPAC Name: ethyl 2-fluoro-5-iodobenzoate
SYSTEMATIC NAME: ethyl 2-fluoranyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C9H8FIO2
MOLECULAR WEIGHT: 294.061493
SMILES: CCOC(=O)C1=C(C=CC(=C1)I)F
Structure:
CAS RN: 749240-54-8
CAS Name: 5-fluoro-6-methyl-1H-indole-2,3-dione
OPENEYE Name: 5-fluoro-6-methyl-indoline-2,3-dione
IUPAC Name: 5-fluoro-6-methyl-1H-indole-2,3-dione
SYSTEMATIC NAME: 5-fluoranyl-6-methyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C9H6FNO2
MOLECULAR WEIGHT: 179.147843
SMILES: CC1=C(C=C2C(=C1)NC(=O)C2=O)F
Structure:
CAS RN: 625471-27-4
CAS Name: 2-fluoro-5-iodobenzoic acid methyl ester
OPENEYE Name: methyl 2-fluoro-5-iodo-benzoate
IUPAC Name: methyl 2-fluoro-5-iodobenzoate
SYSTEMATIC NAME: methyl 2-fluoranyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C8H6FIO2
MOLECULAR WEIGHT: 280.034913
SMILES: COC(=O)C1=C(C=CC(=C1)I)F
Structure:
CAS RN: 39160-31-1
CAS Name: 4-fluoropyridine hydrochloride
OPENEYE Name: 4-fluoropyridine hydrochloride
IUPAC Name: 4-fluoropyridine hydrochloride
SYSTEMATIC NAME: 4-fluoranylpyridine hydrochloride
MOLECULAR FORMULA: C5H5ClFN
MOLECULAR WEIGHT: 133.551303
SMILES: C1=CN=CC=C1F.Cl
Structure:
CAS RN: 38186-85-5
CAS Name: 2-bromo-5-fluoro-3-methylpyridine
OPENEYE Name: 2-bromo-5-fluoro-3-methyl-pyridine
IUPAC Name: 2-bromo-5-fluoro-3-methylpyridine
SYSTEMATIC NAME: 2-bromanyl-5-fluoranyl-3-methyl-pyridine
MOLECULAR FORMULA: C6H5BrFN
MOLECULAR WEIGHT: 190.013003
SMILES: CC1=CC(=CN=C1Br)F
Structure:
CAS RN: 375368-80-2
CAS Name: 3-fluoro-2-methoxy-6-methylpyridine
OPENEYE Name: 3-fluoro-2-methoxy-6-methyl-pyridine
IUPAC Name: 3-fluoro-2-methoxy-6-methylpyridine
SYSTEMATIC NAME: 3-fluoranyl-2-methoxy-6-methyl-pyridine
MOLECULAR FORMULA: C7H8FNO
MOLECULAR WEIGHT: 141.142923
SMILES: CC1=NC(=C(C=C1)F)OC
Structure:
CAS RN: 360074-85-7
CAS Name: 2-amino-2-phenylhexanoic acid methyl ester
OPENEYE Name: methyl 2-amino-2-phenyl-hexanoate
IUPAC Name: methyl 2-amino-2-phenylhexanoate
SYSTEMATIC NAME: methyl 2-azanyl-2-phenyl-hexanoate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCCCC(C1=CC=CC=C1)(C(=O)OC)N
Structure:
CAS RN: 348-65-2
CAS Name: 5-chloro-2,4-difluoroaniline
OPENEYE Name: 5-chloro-2,4-difluoro-aniline
IUPAC Name: 5-chloro-2,4-difluoroaniline
SYSTEMATIC NAME: 5-chloranyl-2,4-bis(fluoranyl)aniline
MOLECULAR FORMULA: C6H4ClF2N
MOLECULAR WEIGHT: 163.552466
SMILES: C1=C(C(=CC(=C1Cl)F)F)N
Structure:
CAS RN: 870606-45-4
CAS Name: 5-chloro-2,4-difluoroaniline
OPENEYE Name: 5-chloro-2,4-difluoro-aniline
IUPAC Name: 5-chloro-2,4-difluoroaniline
SYSTEMATIC NAME: 5-chloranyl-2,4-bis(fluoranyl)aniline
MOLECULAR FORMULA: C6H4ClF2N
MOLECULAR WEIGHT: 163.552466
SMILES: C1=C(C(=CC(=C1Cl)F)F)N
Structure:
CAS RN: 314741-40-7
CAS Name: (3S)-3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)OC(=O)N1CCN[C@@H](C1)CO
Structure:
CAS RN: 278788-66-2
CAS Name: (3R)-3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)OC(=O)N1CCN[C@H](C1)CO
Structure:
CAS RN: 278788-60-6
CAS Name: (2R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid
OPENEYE Name: (2R)-1-tert-butoxycarbonylpiperazine-2-carboxylic acid
IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
MOLECULAR FORMULA: C10H18N2O4
MOLECULAR WEIGHT: 230.26092
SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1C(=O)O
Structure:
CAS RN: 200626-46-6
CAS Name: (6Z)-6-[ethoxy(hydroxy)methylidene]-2-(methylthio)-5-thieno[2,3-d]pyrimidinone
OPENEYE Name: (6Z)-6-[ethoxy(hydroxy)methylene]-2-methylsulfanyl-thieno[2,3-d]pyrimidin-5-one
IUPAC Name: (6Z)-6-[ethoxy(hydroxy)methylidene]-2-methylsulfanylthieno[2,3-d]pyrimidin-5-one
SYSTEMATIC NAME: (6Z)-6-[ethoxy(oxidanyl)methylidene]-2-methylsulfanyl-thieno[2,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C10H10N2O3S2
MOLECULAR WEIGHT: 270.328
SMILES: CCO/C(=C\1/C(=O)C2=CN=C(N=C2S1)SC)/O
Structure:
CAS RN: 1041421-52-6
CAS Name: 4H-pyrrolo[2,3-d]oxazole-5-carboxylic acid
OPENEYE Name: 4H-pyrrolo[2,3-d]oxazole-5-carboxylic acid
IUPAC Name: 4H-pyrrolo[2,3-d][1,3]oxazole-5-carboxylic acid
SYSTEMATIC NAME: 4H-pyrrolo[2,3-d][1,3]oxazole-5-carboxylic acid
MOLECULAR FORMULA: C6H4N2O3
MOLECULAR WEIGHT: 152.10756
SMILES: C1=C(NC2=C1OC=N2)C(=O)O
Structure:
CAS RN: 950985-29-2
CAS Name: 4-(3-bromo-1-methyl-2-oxo-4-quinolinyl)benzonitrile
OPENEYE Name: 4-(3-bromo-1-methyl-2-oxo-4-quinolyl)benzonitrile
IUPAC Name: 4-(3-bromo-1-methyl-2-oxoquinolin-4-yl)benzonitrile
SYSTEMATIC NAME: 4-(3-bromanyl-1-methyl-2-oxidanylidene-quinolin-4-yl)benzenecarbonitrile
MOLECULAR FORMULA: C17H11BrN2O
MOLECULAR WEIGHT: 339.18604
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)Br)C3=CC=C(C=C3)C#N
Structure:
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