CAS RN: 1728-97-8
CAS Name: 1-[5-(fluoromethyl)-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[5-(fluoromethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(fluoranylmethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O4
MOLECULAR WEIGHT: 244.219623
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CF)O
Structure:
CAS RN: 17199-43-8
CAS Name: 1-[5-(fluoromethyl)-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[5-(fluoromethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(fluoranylmethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O4
MOLECULAR WEIGHT: 244.219623
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CF)O
Structure:
CAS RN: 17360-25-7
CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid
OPENEYE Name: 3-methyl-2-(p-tolylsulfonylamino)butanoic acid
IUPAC Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid
SYSTEMATIC NAME: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid
MOLECULAR FORMULA: C12H17NO4S
MOLECULAR WEIGHT: 271.33268
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O
Structure:
CAS RN: 13957-33-0
CAS Name: 2,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-dione
OPENEYE Name: decalin-1,5-dione
IUPAC Name: 2,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-dione
SYSTEMATIC NAME: 2,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-dione
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: C1CC2C(CCCC2=O)C(=O)C1
Structure:
CAS RN: 1765-93-1
CAS Name: (4-fluorophenyl)boronic acid
OPENEYE Name: (4-fluorophenyl)boronic acid
IUPAC Name: (4-fluorophenyl)boronic acid
SYSTEMATIC NAME: (4-fluorophenyl)boronic acid
MOLECULAR FORMULA: C6H6BFO2
MOLECULAR WEIGHT: 139.920043
SMILES: B(C1=CC=C(C=C1)F)(O)O
Structure:
CAS RN: 92020-85-4
CAS Name: 1-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
OPENEYE Name: 1-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
IUPAC Name: 1-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CC(=O)N1CCC2=C(C1)C=CC=C2O
Structure:
CAS RN: 6085-25-2
CAS Name: N-(3-bromophenyl)-3-oxobutanamide
OPENEYE Name: N-(3-bromophenyl)-3-oxo-butanamide
IUPAC Name: N-(3-bromophenyl)-3-oxobutanamide
SYSTEMATIC NAME: N-(3-bromophenyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: CC(=O)CC(=O)NC1=CC(=CC=C1)Br
Structure:
CAS RN: 5398-93-6
CAS Name: 1,4,8-trimethyl-2-quinolinone
OPENEYE Name: 1,4,8-trimethylquinolin-2-one
IUPAC Name: 1,4,8-trimethylquinolin-2-one
SYSTEMATIC NAME: 1,4,8-trimethylquinolin-2-one
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: CC1=CC=CC2=C1N(C(=O)C=C2C)C
Structure:
CAS RN: 907552-39-0
CAS Name: 2-chloro-N-[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]acetamide
OPENEYE Name: 2-chloro-N-(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide
IUPAC Name: 2-chloro-N-(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethanamide
MOLECULAR FORMULA: C7H8ClN3O2S
MOLECULAR WEIGHT: 233.67532
SMILES: CSC1=NC(=O)C=C(N1)NC(=O)CCl
Structure:
CAS RN: 35839-44-2
CAS Name: 4-(1-adamantyl)-2-[(dimethylamino)methyl]-6-phenylphenol
OPENEYE Name: 4-(1-adamantyl)-2-[(dimethylamino)methyl]-6-phenyl-phenol
IUPAC Name: 4-(1-adamantyl)-2-[(dimethylamino)methyl]-6-phenylphenol
SYSTEMATIC NAME: 4-(1-adamantyl)-2-[(dimethylamino)methyl]-6-phenyl-phenol
MOLECULAR FORMULA: C25H31NO
MOLECULAR WEIGHT: 361.51974
SMILES: CN(C)CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)O
Structure:
CAS RN: 2040-20-2
CAS Name: 1-(4-methoxyphenyl)-2-methyl-1-propanone
OPENEYE Name: 1-(4-methoxyphenyl)-2-methyl-propan-1-one
IUPAC Name: 1-(4-methoxyphenyl)-2-methylpropan-1-one
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-methyl-propan-1-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)C(=O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 14469-83-1
CAS Name: 5-bromopentylbenzene
OPENEYE Name: 5-bromopentylbenzene
IUPAC Name: 5-bromopentylbenzene
SYSTEMATIC NAME: 5-bromanylpentylbenzene
MOLECULAR FORMULA: C11H15Br
MOLECULAR WEIGHT: 227.1408
SMILES: C1=CC=C(C=C1)CCCCCBr
Structure:
CAS RN: 443-86-7
CAS Name: 3-fluoro-2-methylaniline
OPENEYE Name: 3-fluoro-2-methyl-aniline
IUPAC Name: 3-fluoro-2-methylaniline
SYSTEMATIC NAME: 3-fluoranyl-2-methyl-aniline
MOLECULAR FORMULA: C7H8FN
MOLECULAR WEIGHT: 125.143523
SMILES: CC1=C(C=CC=C1F)N
Structure:
CAS RN: 27469-61-0
CAS Name: 1-[bis(4-chlorophenyl)methyl]piperazine
OPENEYE Name: 1-[bis(4-chlorophenyl)methyl]piperazine
IUPAC Name: 1-[bis(4-chlorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[bis(4-chlorophenyl)methyl]piperazine
MOLECULAR FORMULA: C17H18Cl2N2
MOLECULAR WEIGHT: 321.24422
SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 2765-42-6
CAS Name: 1-[bis(4-chlorophenyl)methyl]piperazine
OPENEYE Name: 1-[bis(4-chlorophenyl)methyl]piperazine
IUPAC Name: 1-[bis(4-chlorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[bis(4-chlorophenyl)methyl]piperazine
MOLECULAR FORMULA: C17H18Cl2N2
MOLECULAR WEIGHT: 321.24422
SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 500587-48-4
CAS Name: 1-(1-piperidinylsulfonyl)piperazine
OPENEYE Name: 1-(1-piperidylsulfonyl)piperazine
IUPAC Name: 1-piperidin-1-ylsulfonylpiperazine
SYSTEMATIC NAME: 1-piperidin-1-ylsulfonylpiperazine
MOLECULAR FORMULA: C9H19N3O2S
MOLECULAR WEIGHT: 233.33106
SMILES: C1CCN(CC1)S(=O)(=O)N2CCNCC2
Structure:
CAS RN: 704-83-6
CAS Name: 1-[2-(4-chlorophenyl)-5,8-dimethoxy-4-quinolinyl]-2-(dibutylamino)ethanol
OPENEYE Name: 1-[2-(4-chlorophenyl)-5,8-dimethoxy-4-quinolyl]-2-(dibutylamino)ethanol
IUPAC Name: 1-[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-4-yl]-2-(dibutylamino)ethanol
SYSTEMATIC NAME: 1-[2-(4-chlorophenyl)-5,8-dimethoxy-quinolin-4-yl]-2-(dibutylamino)ethanol
MOLECULAR FORMULA: C27H35ClN2O3
MOLECULAR WEIGHT: 471.0314
SMILES: CCCCN(CCCC)CC(C1=CC(=NC2=C(C=CC(=C12)OC)OC)C3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 65150-90-5
CAS Name: 1,3-dimethyl-2-pyridinone
OPENEYE Name: 1,3-dimethylpyridin-2-one
IUPAC Name: 1,3-dimethylpyridin-2-one
SYSTEMATIC NAME: 1,3-dimethylpyridin-2-one
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=CC=CN(C1=O)C
Structure:
CAS RN: 35252-63-2
CAS Name: 2,4-dichloro-6-(1-phenyl-2-pyrrolyl)-1,3,5-triazine
OPENEYE Name: 2,4-dichloro-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
IUPAC Name: 2,4-dichloro-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
MOLECULAR FORMULA: C13H8Cl2N4
MOLECULAR WEIGHT: 291.13542
SMILES: C1=CC=C(C=C1)N2C=CC=C2C3=NC(=NC(=N3)Cl)Cl
Structure:
CAS RN: 35441-18-0
CAS Name: 2,4-dichloro-6-(1-phenyl-2-pyrrolyl)-1,3,5-triazine
OPENEYE Name: 2,4-dichloro-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
IUPAC Name: 2,4-dichloro-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
MOLECULAR FORMULA: C13H8Cl2N4
MOLECULAR WEIGHT: 291.13542
SMILES: C1=CC=C(C=C1)N2C=CC=C2C3=NC(=NC(=N3)Cl)Cl
Structure:
CAS RN: 52444-78-7
CAS Name: N-(4-methoxyphenyl)-5-(methylthio)-4-phenyl-3-dithiolimine
OPENEYE Name: N-(4-methoxyphenyl)-5-methylsulfanyl-4-phenyl-dithiol-3-imine
IUPAC Name: N-(4-methoxyphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-5-methylsulfanyl-4-phenyl-1,2-dithiol-3-imine
MOLECULAR FORMULA: C17H15NOS3
MOLECULAR WEIGHT: 345.5021
SMILES: COC1=CC=C(C=C1)N=C2C(=C(SS2)SC)C3=CC=CC=C3
Structure:
CAS RN: 3041-51-8
CAS Name: 3-phenyloxirane-2,2,3-tricarbonitrile
OPENEYE Name: 3-phenyloxirane-2,2,3-tricarbonitrile
IUPAC Name: 3-phenyloxirane-2,2,3-tricarbonitrile
SYSTEMATIC NAME: 3-phenyloxirane-2,2,3-tricarbonitrile
MOLECULAR FORMULA: C11H5N3O
MOLECULAR WEIGHT: 195.1769
SMILES: C1=CC=C(C=C1)C2(C(O2)(C#N)C#N)C#N
Structure:
CAS RN: 17282-03-0
CAS Name: 3-bromo-2-chloro-5-methylpyridine
OPENEYE Name: 3-bromo-2-chloro-5-methyl-pyridine
IUPAC Name: 3-bromo-2-chloro-5-methylpyridine
SYSTEMATIC NAME: 3-bromanyl-2-chloranyl-5-methyl-pyridine
MOLECULAR FORMULA: C6H5BrClN
MOLECULAR WEIGHT: 206.4676
SMILES: CC1=CC(=C(N=C1)Cl)Br
Structure:
CAS RN: 89488-30-2
CAS Name: 5-bromo-3-methyl-1H-pyridin-2-one
OPENEYE Name: 5-bromo-3-methyl-1H-pyridin-2-one
IUPAC Name: 5-bromo-3-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 5-bromanyl-3-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: CC1=CC(=CNC1=O)Br
Structure:
CAS RN: 29232-39-1
CAS Name: 2,3-dibromo-5-methylpyridine
OPENEYE Name: 2,3-dibromo-5-methyl-pyridine
IUPAC Name: 2,3-dibromo-5-methylpyridine
SYSTEMATIC NAME: 2,3-bis(bromanyl)-5-methyl-pyridine
MOLECULAR FORMULA: C6H5Br2N
MOLECULAR WEIGHT: 250.9186
SMILES: CC1=CC(=C(N=C1)Br)Br
Structure:
CAS RN: 29241-60-9
CAS Name: 5-bromo-2-chloro-3-methylpyridine
OPENEYE Name: 5-bromo-2-chloro-3-methyl-pyridine
IUPAC Name: 5-bromo-2-chloro-3-methylpyridine
SYSTEMATIC NAME: 5-bromanyl-2-chloranyl-3-methyl-pyridine
MOLECULAR FORMULA: C6H5BrClN
MOLECULAR WEIGHT: 206.4676
SMILES: CC1=CC(=CN=C1Cl)Br
Structure:
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