CAS RN: 28277-68-1
CAS Name: (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]prop-2-enoate
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: CCOC(=O)/C=C/C1=C(NC(=O)NC1=O)C
Structure:
CAS RN: 129224-51-7
CAS Name: 2-cyano-2-cyclopentylideneethanethioamide
OPENEYE Name: 2-cyano-2-cyclopentylidene-thioacetamide
IUPAC Name: 2-cyano-2-cyclopentylideneethanethioamide
SYSTEMATIC NAME: 2-cyano-2-cyclopentylidene-ethanethioamide
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: C1CCC(=C(C#N)C(=S)N)C1
Structure:
CAS RN: 106345-05-5
CAS Name: (2E)-2-cyano-2-[1-(cyanomethyl)-2-pyrrolidinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
IUPAC Name: ethyl (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CCOC(=O)/C(=C/1\CCCN1CC#N)/C#N
Structure:
CAS RN: 83863-42-7
CAS Name: 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
OPENEYE Name: 1-(p-tolyl)-4-(p-tolylsulfonyl)piperazine
IUPAC Name: 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C18H22N2O2S
MOLECULAR WEIGHT: 330.44448
SMILES: CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 539-83-3
CAS Name: 1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(2-fluoro-5-nitro-phenyl)pyrrole-2,5-dione
IUPAC Name: 1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(2-fluoranyl-5-nitro-phenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C10H5FN2O4
MOLECULAR WEIGHT: 236.156103
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N2C(=O)C=CC2=O)F
Structure:
CAS RN: 436088-86-7
CAS Name: 3-amino-2-cyclohexyl-1H-pyrazol-5-one
OPENEYE Name: 3-amino-2-cyclohexyl-1H-pyrazol-5-one
IUPAC Name: 3-amino-2-cyclohexyl-1H-pyrazol-5-one
SYSTEMATIC NAME: 3-azanyl-2-cyclohexyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C9H15N3O
MOLECULAR WEIGHT: 181.2349
SMILES: C1CCC(CC1)N2C(=CC(=O)N2)N
Structure:
CAS RN: 43087-79-2
CAS Name: (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: (4Z)-4-[(2,3-dimethoxyphenyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: COC1=CC=CC(=C1OC)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 131814-56-7
CAS Name: 3-(2-fluorophenyl)-7-propan-2-yloxy-1-benzopyran-4-one
OPENEYE Name: 3-(2-fluorophenyl)-7-isopropoxy-chromen-4-one
IUPAC Name: 3-(2-fluorophenyl)-7-propan-2-yloxychromen-4-one
SYSTEMATIC NAME: 3-(2-fluorophenyl)-7-propan-2-yloxy-chromen-4-one
MOLECULAR FORMULA: C18H15FO3
MOLECULAR WEIGHT: 298.308303
SMILES: CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3F
Structure:
CAS RN: 137988-10-4
CAS Name: acetic acid [3-(4-chlorophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-chlorophenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(4-chlorophenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C17H11ClO5
MOLECULAR WEIGHT: 330.71924
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Cl
Structure:
CAS RN: 313957-85-6
CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C11H13N3O2S
MOLECULAR WEIGHT: 251.30482
SMILES: COC1=C(C=C(C=C1)CC2=NN=C(S2)N)OC
Structure:
CAS RN: 5965-96-8
CAS Name: [1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanol
OPENEYE Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanol
IUPAC Name: (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol
SYSTEMATIC NAME: (1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanol
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)CO
Structure:
CAS RN: 36640-39-8
CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methanol
OPENEYE Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methanol
IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol
SYSTEMATIC NAME: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methanol
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CO
Structure:
CAS RN: 59483-79-3
CAS Name: (4Z)-2-(3-chlorophenyl)-4-[(3-fluorophenyl)methylidene]-5-oxazolone
OPENEYE Name: (4Z)-2-(3-chlorophenyl)-4-[(3-fluorophenyl)methylene]oxazol-5-one
IUPAC Name: (4Z)-2-(3-chlorophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-2-(3-chlorophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
MOLECULAR FORMULA: C16H9ClFNO2
MOLECULAR WEIGHT: 301.699563
SMILES: C1=CC(=CC(=C1)F)/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 151449-78-4
CAS Name: N-(2-aminophenyl)-2-hydroxy-1-methyl-4-oxo-3-quinolinecarboxamide
OPENEYE Name: N-(2-aminophenyl)-2-hydroxy-1-methyl-4-oxo-quinoline-3-carboxamide
IUPAC Name: N-(2-aminophenyl)-2-hydroxy-1-methyl-4-oxoquinoline-3-carboxamide
SYSTEMATIC NAME: N-(2-aminophenyl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=CC=C3N
Structure:
CAS RN: 5938-34-1
CAS Name: 1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone
OPENEYE Name: 1-(p-tolyl)-2-(1,2,4-triazol-1-yl)ethanone
IUPAC Name: 1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone
SYSTEMATIC NAME: 1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CC1=CC=C(C=C1)C(=O)CN2C=NC=N2
Structure:
CAS RN: 41498-15-1
CAS Name: (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5E)-5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name: (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C12H13N3OS
MOLECULAR WEIGHT: 247.31612
SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
Structure:
CAS RN: 72547-44-5
CAS Name: 4-(4-methyl-1-piperazinyl)-4-oxobutanoic acid
OPENEYE Name: 4-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid
IUPAC Name: 4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C9H16N2O3
MOLECULAR WEIGHT: 200.23494
SMILES: CN1CCN(CC1)C(=O)CCC(=O)O
Structure:
CAS RN: 118001-76-6
CAS Name: 4-(2-imidazo[1,2-a]pyridinylmethoxy)benzaldehyde
OPENEYE Name: 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
SYSTEMATIC NAME: 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)C=O
Structure:
CAS RN: 13174-24-8
CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
OPENEYE Name: N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-methanamine
IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-methanamine
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)OC
Structure:
CAS RN: 40986-96-7
CAS Name: (1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanecarboxylic acid
OPENEYE Name: (1S,4R)-7,7-dimethyl-2-oxo-norbornane-1-carboxylic acid
IUPAC Name: (1R,4S)-7,7-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxylic acid
SYSTEMATIC NAME: (1R,4S)-7,7-dimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylic acid
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C
Structure:
CAS RN: 93150-23-3
CAS Name: 1-[[4-(phenylmethyl)-1-piperazinyl]methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: C1CC(=O)N(C1=O)CN2CCN(CC2)CC3=CC=CC=C3
Structure:
CAS RN: 73269-32-6
CAS Name: 5-(4-fluorophenyl)-2-furancarboxylic acid
OPENEYE Name: 5-(4-fluorophenyl)furan-2-carboxylic acid
IUPAC Name: 5-(4-fluorophenyl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(4-fluorophenyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C11H7FO3
MOLECULAR WEIGHT: 206.169883
SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)F
Structure:
CAS RN: 274266-25-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N2O3
MOLECULAR WEIGHT: 300.3523
SMILES: CCN(CC)C(=O)OC1=CC(=O)N2CCCC3=CC=CC1=C32
Structure:
CAS RN: 38746-92-8
CAS Name: [(1R)-2,2-dichlorocyclopropyl]sulfonylbenzene
OPENEYE Name: [(1R)-2,2-dichlorocyclopropyl]sulfonylbenzene
IUPAC Name: [(1R)-2,2-dichlorocyclopropyl]sulfonylbenzene
SYSTEMATIC NAME: [(1R)-2,2-bis(chloranyl)cyclopropyl]sulfonylbenzene
MOLECULAR FORMULA: C9H8Cl2O2S
MOLECULAR WEIGHT: 251.12962
SMILES: C1[C@H](C1(Cl)Cl)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 3874-64-4
CAS Name: [(1S)-2,2-dichlorocyclopropyl]sulfonylbenzene
OPENEYE Name: [(1S)-2,2-dichlorocyclopropyl]sulfonylbenzene
IUPAC Name: [(1S)-2,2-dichlorocyclopropyl]sulfonylbenzene
SYSTEMATIC NAME: [(1S)-2,2-bis(chloranyl)cyclopropyl]sulfonylbenzene
MOLECULAR FORMULA: C9H8Cl2O2S
MOLECULAR WEIGHT: 251.12962
SMILES: C1[C@@H](C1(Cl)Cl)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 54006-63-2
CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
OPENEYE Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
IUPAC Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Cl
Structure:
CAS RN: 887408-58-4
CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
OPENEYE Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
IUPAC Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Cl
Structure:
CAS RN: 6143-52-8
CAS Name: 1-(3-chlorophenyl)-3-(2,2,6,6-tetramethyl-4-piperidinyl)thiourea
OPENEYE Name: 1-(3-chlorophenyl)-3-(2,2,6,6-tetramethyl-4-piperidyl)thiourea
IUPAC Name: 1-(3-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
MOLECULAR FORMULA: C16H24ClN3S
MOLECULAR WEIGHT: 325.89986
SMILES: CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC(=CC=C2)Cl)C
Structure:
CAS RN: 136350-52-2
CAS Name: 1-(4-bromophenyl)sulfonylpyrrolidine
OPENEYE Name: 1-(4-bromophenyl)sulfonylpyrrolidine
IUPAC Name: 1-(4-bromophenyl)sulfonylpyrrolidine
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonylpyrrolidine
MOLECULAR FORMULA: C10H12BrNO2S
MOLECULAR WEIGHT: 290.17678
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 355816-85-2
CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
OPENEYE Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SYSTEMATIC NAME: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: COC1=CC(=C(C=C1)CNCC2=CC(=CC=C2)OC)OC
Structure:
CAS RN: 355815-61-1
CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine
MOLECULAR FORMULA: C15H14FNO2
MOLECULAR WEIGHT: 259.275563
SMILES: C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=C3F
Structure:
CAS RN: 355815-27-9
CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
OPENEYE Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SYSTEMATIC NAME: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
MOLECULAR FORMULA: C16H18FNO2
MOLECULAR WEIGHT: 275.318023
SMILES: COC1=CC(=C(C=C1)CNCC2=CC=C(C=C2)F)OC
Structure:
CAS RN: 26036-36-2
CAS Name: 1-cyclohexyl-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea
OPENEYE Name: 1-cyclohexyl-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-cyclohexyl-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C13H18N4OS
MOLECULAR WEIGHT: 278.37322
SMILES: C1CCC(CC1)NC(=S)NNC(=O)C2=CC=NC=C2
Structure:
No comments:
Post a Comment