CAS RN: 166740-44-9
CAS Name: 2-chloro-5-cyclopropylpyrimidine
OPENEYE Name: 2-chloro-5-cyclopropyl-pyrimidine
IUPAC Name: 2-chloro-5-cyclopropylpyrimidine
SYSTEMATIC NAME: 2-chloranyl-5-cyclopropyl-pyrimidine
MOLECULAR FORMULA: C7H7ClN2
MOLECULAR WEIGHT: 154.59688
SMILES: C1CC1C2=CN=C(N=C2)Cl
CAS RN: 1240621-87-7
CAS Name: 2-bromo-5-pyrimidinol
OPENEYE Name: 2-bromopyrimidin-5-ol
IUPAC Name: 2-bromopyrimidin-5-ol
SYSTEMATIC NAME: 2-bromanylpyrimidin-5-ol
MOLECULAR FORMULA: C4H3BrN2O
MOLECULAR WEIGHT: 174.98342
SMILES: C1=C(C=NC(=N1)Br)O
CAS RN: 934279-60-4
CAS Name: 2-chloro-5-(trifluoromethyl)-3-pyridinecarboxaldehyde
OPENEYE Name: 2-chloro-5-(trifluoromethyl)pyridine-3-carbaldehyde
IUPAC Name: 2-chloro-5-(trifluoromethyl)pyridine-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
MOLECULAR FORMULA: C7H3ClF3NO
MOLECULAR WEIGHT: 209.55303
SMILES: C1=C(C(=NC=C1C(F)(F)F)Cl)C=O
CAS RN: 6836-96-0
CAS Name: 4-amino-2-phenylbutanoic acid hydrochloride
OPENEYE Name: 4-amino-2-phenyl-butanoic acid hydrochloride
IUPAC Name: 4-amino-2-phenylbutanoic acid hydrochloride
SYSTEMATIC NAME: 4-azanyl-2-phenyl-butanoic acid hydrochloride
MOLECULAR FORMULA: C10H14ClNO2
MOLECULAR WEIGHT: 215.67666
SMILES: C1=CC=C(C=C1)C(CCN)C(=O)O.Cl
CAS RN: 94169-63-8
CAS Name: [3,5-di(propan-2-yloxy)phenyl]methanol
OPENEYE Name: (3,5-diisopropoxyphenyl)methanol
IUPAC Name: [3,5-di(propan-2-yloxy)phenyl]methanol
SYSTEMATIC NAME: [3,5-di(propan-2-yloxy)phenyl]methanol
MOLECULAR FORMULA: C13H20O3
MOLECULAR WEIGHT: 224.2961
SMILES: CC(C)OC1=CC(=CC(=C1)CO)OC(C)C
CAS RN: 594844-72-1
CAS Name: 2-[4-amino-3-[dimethylamino(oxo)methyl]phenyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[4-amino-3-(dimethylcarbamoyl)phenyl]acetate
IUPAC Name: methyl 2-[4-amino-3-(dimethylcarbamoyl)phenyl]acetate
SYSTEMATIC NAME: methyl 2-[4-azanyl-3-(dimethylcarbamoyl)phenyl]ethanoate
MOLECULAR FORMULA: C12H16N2O3
MOLECULAR WEIGHT: 236.26704
SMILES: CN(C)C(=O)C1=C(C=CC(=C1)CC(=O)OC)N
CAS RN: 59443-80-0
CAS Name: 4-pentylbenzoic acid [4-(4-cyanophenyl)phenyl] ester
OPENEYE Name: [4-(4-cyanophenyl)phenyl] 4-pentylbenzoate
IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-pentylbenzoate
SYSTEMATIC NAME: [4-(4-cyanophenyl)phenyl] 4-pentylbenzoate
MOLECULAR FORMULA: C25H23NO2
MOLECULAR WEIGHT: 369.45562
SMILES: CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
CAS RN: 942308-58-9
CAS Name: (3S,5S)-5-(hydroxymethyl)-1-(phenylmethyl)-3-pyrrolidinol
OPENEYE Name: (3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-ol
IUPAC Name: (3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-ol
SYSTEMATIC NAME: (3S,5S)-5-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-3-ol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1[C@@H](CN([C@@H]1CO)CC2=CC=CC=C2)O
CAS RN: 76360-63-9
CAS Name: (6Z)-6-[ethoxy(hydroxy)methylidene]-2-phenyl-8-prop-2-enylpyrido[2,3-d]pyrimidine-5,7-dione
OPENEYE Name: (6Z)-8-allyl-6-[ethoxy(hydroxy)methylene]-2-phenyl-pyrido[2,3-d]pyrimidine-5,7-dione
IUPAC Name: (6Z)-6-[ethoxy(hydroxy)methylidene]-2-phenyl-8-prop-2-enylpyrido[2,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: (6Z)-6-[ethoxy(oxidanyl)methylidene]-2-phenyl-8-prop-2-enyl-pyrido[2,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C19H17N3O4
MOLECULAR WEIGHT: 351.35598
SMILES: CCO/C(=C\1/C(=O)C2=CN=C(N=C2N(C1=O)CC=C)C3=CC=CC=C3)/O
CAS RN: 1022985-41-6
CAS Name: (2R)-2-methyl-4-nitro-1-butanol
OPENEYE Name: (2R)-2-methyl-4-nitro-butan-1-ol
IUPAC Name: (2R)-2-methyl-4-nitrobutan-1-ol
SYSTEMATIC NAME: (2R)-2-methyl-4-nitro-butan-1-ol
MOLECULAR FORMULA: C5H11NO3
MOLECULAR WEIGHT: 133.14574
SMILES: C[C@H](CC[N+](=O)[O-])CO
CAS RN: 1039826-29-3
CAS Name: (2R)-2-(bromomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-(bromomethyl)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-(bromomethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-(bromomethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H18BrNO2
MOLECULAR WEIGHT: 264.15942
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1CBr
CAS RN: 88390-28-7
CAS Name: (2R)-2-methyl-4-nitrobutanoic acid
OPENEYE Name: (2R)-2-methyl-4-nitro-butanoic acid
IUPAC Name: (2R)-2-methyl-4-nitrobutanoic acid
SYSTEMATIC NAME: (2R)-2-methyl-4-nitro-butanoic acid
MOLECULAR FORMULA: C5H9NO4
MOLECULAR WEIGHT: 147.12926
SMILES: C[C@H](CC[N+](=O)[O-])C(=O)O
CAS RN: 383198-22-9
CAS Name: N-[4-[(hydroxyamino)-oxomethyl]phenyl]carbamic acid [6-[(dimethylamino)methyl]-2-naphthalenyl]methyl ester
OPENEYE Name: [6-[(dimethylamino)methyl]-2-naphthyl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate
IUPAC Name: [6-[(dimethylamino)methyl]naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate
SYSTEMATIC NAME: [6-[(dimethylamino)methyl]naphthalen-2-yl]methyl N-[4-(oxidanylcarbamoyl)phenyl]carbamate
MOLECULAR FORMULA: C22H23N3O4
MOLECULAR WEIGHT: 393.43572
SMILES: CN(C)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO
CAS RN: 199657-29-9
CAS Name: N-[4-[(hydroxyamino)-oxomethyl]phenyl]carbamic acid [6-[(dimethylamino)methyl]-2-naphthalenyl]methyl ester
OPENEYE Name: [6-[(dimethylamino)methyl]-2-naphthyl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate
IUPAC Name: [6-[(dimethylamino)methyl]naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate
SYSTEMATIC NAME: [6-[(dimethylamino)methyl]naphthalen-2-yl]methyl N-[4-(oxidanylcarbamoyl)phenyl]carbamate
MOLECULAR FORMULA: C22H23N3O4
MOLECULAR WEIGHT: 393.43572
SMILES: CN(C)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO
CAS RN: 951625-96-0
CAS Name: 4-[(2-methylpropan-2-yl)oxymethyl]-4-oxanamine
OPENEYE Name: 4-(tert-butoxymethyl)tetrahydropyran-4-amine
IUPAC Name: 4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-amine
SYSTEMATIC NAME: 4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-amine
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CC(C)(C)OCC1(CCOCC1)N
CAS RN: 1211592-87-8
CAS Name: 3-[(2-methylpropan-2-yl)oxy]-1-cyclohexanamine
OPENEYE Name: 3-tert-butoxycyclohexanamine
IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
MOLECULAR FORMULA: C10H21NO
MOLECULAR WEIGHT: 171.27984
SMILES: CC(C)(C)OC1CCCC(C1)N
CAS RN: 951625-97-1
CAS Name: 4-[(2-methylpropan-2-yl)oxy]-1-cyclohexanamine
OPENEYE Name: 4-tert-butoxycyclohexanamine
IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SYSTEMATIC NAME: 4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
MOLECULAR FORMULA: C10H21NO
MOLECULAR WEIGHT: 171.27984
SMILES: CC(C)(C)OC1CCC(CC1)N
CAS RN: 1082977-64-7
CAS Name: [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester
OPENEYE Name: methyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
IUPAC Name: methyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SYSTEMATIC NAME: methyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C7H6N4O2
MOLECULAR WEIGHT: 178.14814
SMILES: COC(=O)C1=NN2C=CC=NC2=N1
CAS RN: 1020236-42-3
CAS Name: 5-(4-bromophenyl)-1-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
IUPAC Name: ethyl 1-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(4-bromophenyl)-1-(phenylmethyl)pyrazole-3-carboxylate
MOLECULAR FORMULA: C19H17BrN2O2
MOLECULAR WEIGHT: 385.25448
SMILES: CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Br)CC3=CC=CC=C3
CAS RN: 1020236-41-2
CAS Name: 5-(4-bromophenyl)-1-ethyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(4-bromophenyl)-1-ethyl-pyrazole-3-carboxylate
IUPAC Name: ethyl 5-(4-bromophenyl)-1-ethylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(4-bromophenyl)-1-ethyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C14H15BrN2O2
MOLECULAR WEIGHT: 323.1851
SMILES: CCN1C(=CC(=N1)C(=O)OCC)C2=CC=C(C=C2)Br
CAS RN: 192701-96-5
CAS Name: 5-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolecarboxylic acid
OPENEYE Name: 5-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
IUPAC Name: 5-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C17H11Cl3N2O2
MOLECULAR WEIGHT: 381.64044
SMILES: C1=CC(=CC=C1C2=CC(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O)Cl
CAS RN: 885275-44-5
CAS Name: 3-pyrazolo[1,5-a]pyridinecarbothioamide
OPENEYE Name: pyrazolo[1,5-a]pyridine-3-carbothioamide
IUPAC Name: pyrazolo[1,5-a]pyridine-3-carbothioamide
SYSTEMATIC NAME: pyrazolo[1,5-a]pyridine-3-carbothioamide
MOLECULAR FORMULA: C8H7N3S
MOLECULAR WEIGHT: 177.22628
SMILES: C1=CC2=C(C=NN2C=C1)C(=S)N
CAS RN: 886370-89-4
CAS Name: 2-bromo-4-(2-pyridinyl)thiazole
OPENEYE Name: 2-bromo-4-(2-pyridyl)thiazole
IUPAC Name: 2-bromo-4-pyridin-2-yl-1,3-thiazole
SYSTEMATIC NAME: 2-bromanyl-4-pyridin-2-yl-1,3-thiazole
MOLECULAR FORMULA: C8H5BrN2S
MOLECULAR WEIGHT: 241.1077
SMILES: C1=CC=NC(=C1)C2=CSC(=N2)Br
CAS RN: 68510-70-3
CAS Name: 3-bromo-7-chloro-2H-pyrazolo[4,3-d]pyrimidine
OPENEYE Name: 3-bromo-7-chloro-2H-pyrazolo[4,3-d]pyrimidine
IUPAC Name: 3-bromo-7-chloro-2H-pyrazolo[4,3-d]pyrimidine
SYSTEMATIC NAME: 3-bromanyl-7-chloranyl-2H-pyrazolo[4,3-d]pyrimidine
MOLECULAR FORMULA: C5H2BrClN4
MOLECULAR WEIGHT: 233.45318
SMILES: C1=NC2=C(NN=C2C(=N1)Cl)Br
CAS RN: 1211595-04-8
CAS Name: 2-[2-(methylthio)-4-pyrimidinyl]-2-oxoacetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-methylsulfanylpyrimidin-4-yl)-2-oxo-acetate
IUPAC Name: ethyl 2-(2-methylsulfanylpyrimidin-4-yl)-2-oxoacetate
SYSTEMATIC NAME: ethyl 2-(2-methylsulfanylpyrimidin-4-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C9H10N2O3S
MOLECULAR WEIGHT: 226.2523
SMILES: CCOC(=O)C(=O)C1=NC(=NC=C1)SC
CAS RN: 582309-12-4
CAS Name: 2-[2-(methylthio)-4-pyrimidinyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-methylsulfanylpyrimidin-4-yl)acetate
IUPAC Name: ethyl 2-(2-methylsulfanylpyrimidin-4-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-methylsulfanylpyrimidin-4-yl)ethanoate
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: CCOC(=O)CC1=NC(=NC=C1)SC
CAS RN: 769944-73-2
CAS Name: 3-(4-bromophenyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C16H22BrNO2
MOLECULAR WEIGHT: 340.25538
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)Br
CAS RN: 769944-71-0
CAS Name: 3-(4-bromophenyl)-2-piperidinone
OPENEYE Name: 3-(4-bromophenyl)piperidin-2-one
IUPAC Name: 3-(4-bromophenyl)piperidin-2-one
SYSTEMATIC NAME: 3-(4-bromophenyl)piperidin-2-one
MOLECULAR FORMULA: C11H12BrNO
MOLECULAR WEIGHT: 254.12308
SMILES: C1CC(C(=O)NC1)C2=CC=C(C=C2)Br
CAS RN: 1201802-66-5
CAS Name: 2-bromo-5-[1-methyl-2-(2-pyridinyl)-4-imidazolyl]pyridine
OPENEYE Name: 2-bromo-5-[1-methyl-2-(2-pyridyl)imidazol-4-yl]pyridine
IUPAC Name: 2-bromo-5-(1-methyl-2-pyridin-2-ylimidazol-4-yl)pyridine
SYSTEMATIC NAME: 2-bromanyl-5-(1-methyl-2-pyridin-2-yl-imidazol-4-yl)pyridine
MOLECULAR FORMULA: C14H11BrN4
MOLECULAR WEIGHT: 315.16794
SMILES: CN1C=C(N=C1C2=CC=CC=N2)C3=CN=C(C=C3)Br
CAS RN: 146679-66-5
CAS Name: (3-bromo-4-pyridinyl)methanol
OPENEYE Name: (3-bromo-4-pyridyl)methanol
IUPAC Name: (3-bromopyridin-4-yl)methanol
SYSTEMATIC NAME: (3-bromanylpyridin-4-yl)methanol
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: C1=CN=CC(=C1CO)Br
CAS RN: 1245643-02-0
CAS Name: 1-chloro-6-methyl-5-isoquinolinecarboxylic acid
OPENEYE Name: 1-chloro-6-methyl-isoquinoline-5-carboxylic acid
IUPAC Name: 1-chloro-6-methylisoquinoline-5-carboxylic acid
SYSTEMATIC NAME: 1-chloranyl-6-methyl-isoquinoline-5-carboxylic acid
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: CC1=C(C2=C(C=C1)C(=NC=C2)Cl)C(=O)O
CAS RN: 1245647-25-9
CAS Name: 5-bromo-1-chloro-6-methylisoquinoline
OPENEYE Name: 5-bromo-1-chloro-6-methyl-isoquinoline
IUPAC Name: 5-bromo-1-chloro-6-methylisoquinoline
SYSTEMATIC NAME: 5-bromanyl-1-chloranyl-6-methyl-isoquinoline
MOLECULAR FORMULA: C10H7BrClN
MOLECULAR WEIGHT: 256.52628
SMILES: CC1=C(C2=C(C=C1)C(=NC=C2)Cl)Br
CAS RN: 216489-60-0
CAS Name: 4-mercapto-2-methoxybenzoic acid methyl ester
OPENEYE Name: methyl 2-methoxy-4-sulfanyl-benzoate
IUPAC Name: methyl 2-methoxy-4-sulfanylbenzoate
SYSTEMATIC NAME: methyl 2-methoxy-4-sulfanyl-benzoate
MOLECULAR FORMULA: C9H10O3S
MOLECULAR WEIGHT: 198.2389
SMILES: COC1=C(C=CC(=C1)S)C(=O)OC
CAS RN: 24289-96-1
CAS Name: (2Z)-2-[(2-methoxyphenyl)methylidene]butanedioic acid
OPENEYE Name: (2Z)-2-[(2-methoxyphenyl)methylene]butanedioic acid
IUPAC Name: (2Z)-2-[(2-methoxyphenyl)methylidene]butanedioic acid
SYSTEMATIC NAME: (2Z)-2-[(2-methoxyphenyl)methylidene]butanedioic acid
MOLECULAR FORMULA: C12H12O5
MOLECULAR WEIGHT: 236.22068
SMILES: COC1=CC=CC=C1/C=C(/CC(=O)O)\C(=O)O
CAS RN: 740842-86-8
CAS Name: 7-bromo-2,3,4,5-tetrahydro-1H-3-benzazepine
OPENEYE Name: 7-bromo-2,3,4,5-tetrahydro-1H-3-benzazepine
IUPAC Name: 7-bromo-2,3,4,5-tetrahydro-1H-3-benzazepine
SYSTEMATIC NAME: 7-bromanyl-2,3,4,5-tetrahydro-1H-3-benzazepine
MOLECULAR FORMULA: C10H12BrN
MOLECULAR WEIGHT: 226.11298
SMILES: C1CNCCC2=C1C=CC(=C2)Br
CAS RN: 183194-41-4
CAS Name: 8-fluoro-7-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 8-fluoro-7-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 8-fluoro-7-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 8-fluoranyl-7-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C11H12FNO
MOLECULAR WEIGHT: 193.217483
SMILES: CC1=C(C=C2C(=C1)CCCC(=O)N2)F
CAS RN: 2107-39-3
CAS Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-2-imidazolecarboxylic acid
OPENEYE Name: 1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
IUPAC Name: 1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
SYSTEMATIC NAME: 1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
MOLECULAR FORMULA: C12H9F3N2O2
MOLECULAR WEIGHT: 270.20727
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN2C=CN=C2C(=O)O
CAS RN: 1053658-49-3
CAS Name: 1,3,6-trichloroisoquinoline
OPENEYE Name: 1,3,6-trichloroisoquinoline
IUPAC Name: 1,3,6-trichloroisoquinoline
SYSTEMATIC NAME: 1,3,6-tris(chloranyl)isoquinoline
MOLECULAR FORMULA: C9H4Cl3N
MOLECULAR WEIGHT: 232.49376
SMILES: C1=CC2=C(N=C(C=C2C=C1Cl)Cl)Cl
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