CAS RN: 89892-21-7
CAS Name: 6-bromoquinazoline
OPENEYE Name: 6-bromoquinazoline
IUPAC Name: 6-bromoquinazoline
SYSTEMATIC NAME: 6-bromanylquinazoline
MOLECULAR FORMULA: C8H5BrN2
MOLECULAR WEIGHT: 209.0427
SMILES: C1=CC2=NC=NC=C2C=C1Br
Structure:
CAS RN: 13694-13-8
CAS Name: 2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyrimidine
OPENEYE Name: 2-(4-bromophenyl)-7-methyl-imidazo[1,2-a]pyrimidine
IUPAC Name: 2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyrimidine
SYSTEMATIC NAME: 2-(4-bromophenyl)-7-methyl-imidazo[1,2-a]pyrimidine
MOLECULAR FORMULA: C13H10BrN3
MOLECULAR WEIGHT: 288.1426
SMILES: CC1=NC2=NC(=CN2C=C1)C3=CC=C(C=C3)Br
Structure:
CAS RN: 864685-41-6
CAS Name: 5-(3-cyanophenyl)-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(3-cyanophenyl)pyridine-3-carboxylate
IUPAC Name: ethyl 5-(3-cyanophenyl)pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(3-cyanophenyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: CCOC(=O)C1=CN=CC(=C1)C2=CC=CC(=C2)C#N
Structure:
CAS RN: 864685-40-5
CAS Name: 5-(3-hydroxyphenyl)-3-pyridinecarboxamide
OPENEYE Name: 5-(3-hydroxyphenyl)pyridine-3-carboxamide
IUPAC Name: 5-(3-hydroxyphenyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 5-(3-hydroxyphenyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC(=CC(=C1)O)C2=CC(=CN=C2)C(=O)N
Structure:
CAS RN: 190903-71-0
CAS Name: (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
OPENEYE Name: (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
IUPAC Name: (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
SYSTEMATIC NAME: [2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]boronic acid
MOLECULAR FORMULA: C7H5BF2O4
MOLECULAR WEIGHT: 201.920006
SMILES: B(C1=CC2=C(C=C1)OC(O2)(F)F)(O)O
Structure:
CAS RN: 864685-39-2
CAS Name: 2-hydroxy-5-(2-imidazo[1,2-a]pyrimidinyl)benzamide
OPENEYE Name: 2-hydroxy-5-imidazo[1,2-a]pyrimidin-2-yl-benzamide
IUPAC Name: 2-hydroxy-5-imidazo[1,2-a]pyrimidin-2-ylbenzamide
SYSTEMATIC NAME: 5-imidazo[1,2-a]pyrimidin-2-yl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1=CN2C=C(N=C2N=C1)C3=CC(=C(C=C3)O)C(=O)N
Structure:
CAS RN: 864759-59-1
CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonylpiperazine hydrochloride
OPENEYE Name: 1-(4-bromo-2-ethyl-phenyl)sulfonylpiperazine hydrochloride
IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonylpiperazine hydrochloride
SYSTEMATIC NAME: 1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazine hydrochloride
MOLECULAR FORMULA: C12H18BrClN2O2S
MOLECULAR WEIGHT: 369.70552
SMILES: CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCNCC2.Cl
Structure:
CAS RN: 864759-55-7
CAS Name: 1-(2-methoxyphenyl)sulfonylpiperazine hydrochloride
OPENEYE Name: 1-(2-methoxyphenyl)sulfonylpiperazine hydrochloride
IUPAC Name: 1-(2-methoxyphenyl)sulfonylpiperazine hydrochloride
SYSTEMATIC NAME: 1-(2-methoxyphenyl)sulfonylpiperazine hydrochloride
MOLECULAR FORMULA: C11H17ClN2O3S
MOLECULAR WEIGHT: 292.78228
SMILES: COC1=CC=CC=C1S(=O)(=O)N2CCNCC2.Cl
Structure:
CAS RN: 188890-74-6
CAS Name: 5-(3-phenylphenyl)-2H-tetrazole
OPENEYE Name: 5-(3-phenylphenyl)-2H-tetrazole
IUPAC Name: 5-(3-phenylphenyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(3-phenylphenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C13H10N4
MOLECULAR WEIGHT: 222.2453
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NNN=N3
Structure:
CAS RN: 146137-88-4
CAS Name: 4-methoxy-1-benzothiophene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 4-methoxybenzothiophene-2-carboxylate
IUPAC Name: methyl 4-methoxy-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-methoxy-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C11H10O3S
MOLECULAR WEIGHT: 222.2603
SMILES: COC1=C2C=C(SC2=CC=C1)C(=O)OC
Structure:
CAS RN: 864685-38-1
CAS Name: 3-amino-7-fluoro-4-methoxy-1-benzothiophene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-7-fluoro-4-methoxy-benzothiophene-2-carboxylate
IUPAC Name: methyl 3-amino-7-fluoro-4-methoxy-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-7-fluoranyl-4-methoxy-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C11H10FNO3S
MOLECULAR WEIGHT: 255.265403
SMILES: COC1=C2C(=C(SC2=C(C=C1)F)C(=O)OC)N
Structure:
CAS RN: 691888-17-2
CAS Name: 1-(7-iodo-1-benzothiophen-2-yl)ethanone
OPENEYE Name: 1-(7-iodobenzothiophen-2-yl)ethanone
IUPAC Name: 1-(7-iodo-1-benzothiophen-2-yl)ethanone
SYSTEMATIC NAME: 1-(7-iodanyl-1-benzothiophen-2-yl)ethanone
MOLECULAR FORMULA: C10H7IOS
MOLECULAR WEIGHT: 302.13145
SMILES: CC(=O)C1=CC2=C(S1)C(=CC=C2)I
Structure:
CAS RN: 90000-31-0
CAS Name: 2-(4-piperidinyl)ethanamine dihydrochloride
OPENEYE Name: 2-(4-piperidyl)ethanamine dihydrochloride
IUPAC Name: 2-piperidin-4-ylethanamine dihydrochloride
SYSTEMATIC NAME: 2-piperidin-4-ylethanamine dihydrochloride
MOLECULAR FORMULA: C7H18Cl2N2
MOLECULAR WEIGHT: 201.13722
SMILES: C1CNCCC1CCN.Cl.Cl
Structure:
CAS RN: 249647-24-3
CAS Name: 3-bromo-4-iodobenzoic acid methyl ester
OPENEYE Name: methyl 3-bromo-4-iodo-benzoate
IUPAC Name: methyl 3-bromo-4-iodobenzoate
SYSTEMATIC NAME: methyl 3-bromanyl-4-iodanyl-benzoate
MOLECULAR FORMULA: C8H6BrIO2
MOLECULAR WEIGHT: 340.94051
SMILES: COC(=O)C1=CC(=C(C=C1)I)Br
Structure:
CAS RN: 108281-79-4
CAS Name: 6-bromo-[1,2,4]triazolo[4,3-a]pyridine
OPENEYE Name: 6-bromo-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Name: 6-bromo-[1,2,4]triazolo[4,3-a]pyridine
SYSTEMATIC NAME: 6-bromanyl-[1,2,4]triazolo[4,3-a]pyridine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CC2=NN=CN2C=C1Br
Structure:
CAS RN: 282536-92-9
CAS Name: 2-(5-bromo-2-phenylmethoxyphenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(2-benzyloxy-5-bromo-phenyl)acetate
IUPAC Name: methyl 2-(5-bromo-2-phenylmethoxyphenyl)acetate
SYSTEMATIC NAME: methyl 2-(5-bromanyl-2-phenylmethoxy-phenyl)ethanoate
MOLECULAR FORMULA: C16H15BrO3
MOLECULAR WEIGHT: 335.1925
SMILES: COC(=O)CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2
Structure:
CAS RN: 152941-69-0
CAS Name: 6-bromopyrido[2,3-d]pyrimidine-2,4-diamine
OPENEYE Name: 6-bromopyrido[2,3-d]pyrimidine-2,4-diamine
IUPAC Name: 6-bromopyrido[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-bromanylpyrido[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C7H6BrN5
MOLECULAR WEIGHT: 240.06004
SMILES: C1=C2C(=NC(=NC2=NC=C1Br)N)N
Structure:
CAS RN: 528852-07-5
CAS Name: 5-bromo-5,6,7,8-tetrahydroquinoxaline
OPENEYE Name: 5-bromo-5,6,7,8-tetrahydroquinoxaline
IUPAC Name: 5-bromo-5,6,7,8-tetrahydroquinoxaline
SYSTEMATIC NAME: 5-bromanyl-5,6,7,8-tetrahydroquinoxaline
MOLECULAR FORMULA: C8H9BrN2
MOLECULAR WEIGHT: 213.07446
SMILES: C1CC(C2=NC=CN=C2C1)Br
Structure:
CAS RN: 850411-25-5
CAS Name: 5-bromo-1-methyl-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 5-bromo-1-methyl-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 5-bromo-1-methyl-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 5-bromanyl-1-methyl-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C6H11BrClN
MOLECULAR WEIGHT: 212.51524
SMILES: CN1CCC=C(C1)Br.Cl
Structure:
CAS RN: 850350-15-1
CAS Name: 4-(1,3-dioxolan-2-ylmethoxy)benzonitrile
OPENEYE Name: 4-(1,3-dioxolan-2-ylmethoxy)benzonitrile
IUPAC Name: 4-(1,3-dioxolan-2-ylmethoxy)benzonitrile
SYSTEMATIC NAME: 4-(1,3-dioxolan-2-ylmethoxy)benzenecarbonitrile
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1COC(O1)COC2=CC=C(C=C2)C#N
Structure:
CAS RN: 850411-24-4
CAS Name: 4-aminooxybutanoic acid hydrobromide
OPENEYE Name: 4-aminooxybutanoic acid hydrobromide
IUPAC Name: 4-aminooxybutanoic acid hydrobromide
SYSTEMATIC NAME: 4-azanyloxybutanoic acid hydrobromide
MOLECULAR FORMULA: C4H10BrNO3
MOLECULAR WEIGHT: 200.0311
SMILES: C(CC(=O)O)CON.Br
Structure:
CAS RN: 850411-23-3
CAS Name: 5-aminooxypentanoic acid hydrobromide
OPENEYE Name: 5-aminooxypentanoic acid hydrobromide
IUPAC Name: 5-aminooxypentanoic acid hydrobromide
SYSTEMATIC NAME: 5-azanyloxypentanoic acid hydrobromide
MOLECULAR FORMULA: C5H12BrNO3
MOLECULAR WEIGHT: 214.05768
SMILES: C(CCON)CC(=O)O.Br
Structure:
CAS RN: 850350-12-8
CAS Name: 1-(6-methoxy-2H-1-benzopyran-3-yl)-1-hexanone
OPENEYE Name: 1-(6-methoxy-2H-chromen-3-yl)hexan-1-one
IUPAC Name: 1-(6-methoxy-2H-chromen-3-yl)hexan-1-one
SYSTEMATIC NAME: 1-(6-methoxy-2H-chromen-3-yl)hexan-1-one
MOLECULAR FORMULA: C16H20O3
MOLECULAR WEIGHT: 260.3282
SMILES: CCCCCC(=O)C1=CC2=C(C=CC(=C2)OC)OC1
Structure:
CAS RN: 850350-09-3
CAS Name: 5-bromo-2-phenylmethoxybenzoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-benzyloxy-5-bromo-benzoate
IUPAC Name: benzyl 5-bromo-2-phenylmethoxybenzoate
SYSTEMATIC NAME: (phenylmethyl) 5-bromanyl-2-phenylmethoxy-benzoate
MOLECULAR FORMULA: C21H17BrO3
MOLECULAR WEIGHT: 397.26188
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 850350-06-0
CAS Name: 1-(6-methoxy-2H-1-benzopyran-3-yl)-1-propanone
OPENEYE Name: 1-(6-methoxy-2H-chromen-3-yl)propan-1-one
IUPAC Name: 1-(6-methoxy-2H-chromen-3-yl)propan-1-one
SYSTEMATIC NAME: 1-(6-methoxy-2H-chromen-3-yl)propan-1-one
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CCC(=O)C1=CC2=C(C=CC(=C2)OC)OC1
Structure:
CAS RN: 514804-11-6
CAS Name: 3-hydroxy-5-[3-(trifluoromethyl)phenoxy]benzoic acid methyl ester
OPENEYE Name: methyl 3-hydroxy-5-[3-(trifluoromethyl)phenoxy]benzoate
IUPAC Name: methyl 3-hydroxy-5-[3-(trifluoromethyl)phenoxy]benzoate
SYSTEMATIC NAME: methyl 3-oxidanyl-5-[3-(trifluoromethyl)phenoxy]benzoate
MOLECULAR FORMULA: C15H11F3O4
MOLECULAR WEIGHT: 312.24065
SMILES: COC(=O)C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)O
Structure:
CAS RN: 850350-04-8
CAS Name: 3-(4-methylsulfonylphenoxy)benzohydrazide
OPENEYE Name: 3-(4-methylsulfonylphenoxy)benzohydrazide
IUPAC Name: 3-(4-methylsulfonylphenoxy)benzohydrazide
SYSTEMATIC NAME: 3-(4-methylsulfonylphenoxy)benzohydrazide
MOLECULAR FORMULA: C14H14N2O4S
MOLECULAR WEIGHT: 306.33696
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NN
Structure:
CAS RN: 850350-02-6
CAS Name: 3-(3-methoxyphenoxy)benzohydrazide
OPENEYE Name: 3-(3-methoxyphenoxy)benzohydrazide
IUPAC Name: 3-(3-methoxyphenoxy)benzohydrazide
SYSTEMATIC NAME: 3-(3-methoxyphenoxy)benzohydrazide
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: COC1=CC=CC(=C1)OC2=CC=CC(=C2)C(=O)NN
Structure:
CAS RN: 850350-00-4
CAS Name: 3-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 3-(aminocarbamothioylamino)benzoate
IUPAC Name: ethyl 3-(aminocarbamothioylamino)benzoate
SYSTEMATIC NAME: ethyl 3-(azanylcarbamothioylamino)benzoate
MOLECULAR FORMULA: C10H13N3O2S
MOLECULAR WEIGHT: 239.29412
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=S)NN
Structure:
CAS RN: 949-26-8
CAS Name: 5-methyl-2-(2-phenylethyl)-4H-pyrazol-3-one
OPENEYE Name: 5-methyl-2-(2-phenylethyl)-4H-pyrazol-3-one
IUPAC Name: 5-methyl-2-(2-phenylethyl)-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-methyl-2-(2-phenylethyl)-4H-pyrazol-3-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC1=NN(C(=O)C1)CCC2=CC=CC=C2
Structure:
CAS RN: 850349-96-1
CAS Name: 5-bromo-N-hexyl-2-pyridinamine
OPENEYE Name: 5-bromo-N-hexyl-pyridin-2-amine
IUPAC Name: 5-bromo-N-hexylpyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-N-hexyl-pyridin-2-amine
MOLECULAR FORMULA: C11H17BrN2
MOLECULAR WEIGHT: 257.17008
SMILES: CCCCCCNC1=NC=C(C=C1)Br
Structure:
CAS RN: 850349-94-9
CAS Name: 3-bromo-5-chloro-N-(2-methoxyethyl)-2-pyridinamine
OPENEYE Name: 3-bromo-5-chloro-N-(2-methoxyethyl)pyridin-2-amine
IUPAC Name: 3-bromo-5-chloro-N-(2-methoxyethyl)pyridin-2-amine
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-N-(2-methoxyethyl)pyridin-2-amine
MOLECULAR FORMULA: C8H10BrClN2O
MOLECULAR WEIGHT: 265.5348
SMILES: COCCNC1=C(C=C(C=N1)Cl)Br
Structure:
CAS RN: 850349-92-7
CAS Name: 3-bromo-5-[3-(1,3-dithian-2-yl)phenyl]pyridine
OPENEYE Name: 3-bromo-5-[3-(1,3-dithian-2-yl)phenyl]pyridine
IUPAC Name: 3-bromo-5-[3-(1,3-dithian-2-yl)phenyl]pyridine
SYSTEMATIC NAME: 3-bromanyl-5-[3-(1,3-dithian-2-yl)phenyl]pyridine
MOLECULAR FORMULA: C15H14BrNS2
MOLECULAR WEIGHT: 352.31236
SMILES: C1CSC(SC1)C2=CC=CC(=C2)C3=CC(=CN=C3)Br
Structure:
CAS RN: 850349-90-5
CAS Name: 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-pyridinamine
OPENEYE Name: 5-bromo-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
IUPAC Name: 5-bromo-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
MOLECULAR FORMULA: C14H15BrN2O
MOLECULAR WEIGHT: 307.1857
SMILES: CCOC1=CC=C(C=C1)CNC2=NC=C(C=C2)Br
Structure:
CAS RN: 850349-88-1
CAS Name: 2-bromo-6-[3-(dimethoxymethyl)phenoxy]pyridine
OPENEYE Name: 2-bromo-6-[3-(dimethoxymethyl)phenoxy]pyridine
IUPAC Name: 2-bromo-6-[3-(dimethoxymethyl)phenoxy]pyridine
SYSTEMATIC NAME: 2-bromanyl-6-[3-(dimethoxymethyl)phenoxy]pyridine
MOLECULAR FORMULA: C14H14BrNO3
MOLECULAR WEIGHT: 324.16986
SMILES: COC(C1=CC(=CC=C1)OC2=NC(=CC=C2)Br)OC
Structure:
CAS RN: 850349-86-9
CAS Name: N-(6-bromo-3-pyridinyl)-2,2-difluoroacetamide
OPENEYE Name: N-(6-bromo-3-pyridyl)-2,2-difluoro-acetamide
IUPAC Name: N-(6-bromopyridin-3-yl)-2,2-difluoroacetamide
SYSTEMATIC NAME: N-(6-bromanylpyridin-3-yl)-2,2-bis(fluoranyl)ethanamide
MOLECULAR FORMULA: C7H5BrF2N2O
MOLECULAR WEIGHT: 251.028206
SMILES: C1=CC(=NC=C1NC(=O)C(F)F)Br
Structure:
CAS RN: 850349-84-7
CAS Name: 5-bromo-2-(2,2,3,3,3-pentafluoropropoxy)pyridine
OPENEYE Name: 5-bromo-2-(2,2,3,3,3-pentafluoropropoxy)pyridine
IUPAC Name: 5-bromo-2-(2,2,3,3,3-pentafluoropropoxy)pyridine
SYSTEMATIC NAME: 5-bromanyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]pyridine
MOLECULAR FORMULA: C8H5BrF5NO
MOLECULAR WEIGHT: 306.027416
SMILES: C1=CC(=NC=C1Br)OCC(C(F)(F)F)(F)F
Structure:
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