CAS RN: 64995-73-9
CAS Name: 7-methyl-3-(phenylmethyl)purine-2,6-dione
OPENEYE Name: 3-benzyl-7-methyl-purine-2,6-dione
IUPAC Name: 3-benzyl-7-methylpurine-2,6-dione
SYSTEMATIC NAME: 7-methyl-3-(phenylmethyl)purine-2,6-dione
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3
Structure:
CAS RN: 60402-29-1
CAS Name: 1-(4-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
OPENEYE Name: 1-(4-chlorophenyl)-3-(2-hydroxy-5-methyl-phenyl)propane-1,3-dione
IUPAC Name: 1-(4-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(5-methyl-2-oxidanyl-phenyl)propane-1,3-dione
MOLECULAR FORMULA: C16H13ClO3
MOLECULAR WEIGHT: 288.72562
SMILES: CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 39571-80-7
CAS Name: 2,2-dichlorophenalene-1,3-dione
OPENEYE Name: 2,2-dichlorophenalene-1,3-dione
IUPAC Name: 2,2-dichlorophenalene-1,3-dione
SYSTEMATIC NAME: 2,2-bis(chloranyl)phenalene-1,3-dione
MOLECULAR FORMULA: C13H6Cl2O2
MOLECULAR WEIGHT: 265.09154
SMILES: C1=CC2=C3C(=C1)C(=O)C(C(=O)C3=CC=C2)(Cl)Cl
Structure:
CAS RN: 28824-66-0
CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-(1,3-benzodioxol-5-ylmethylene)-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C11H7NO3S2
MOLECULAR WEIGHT: 265.30818
SMILES: C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=S)S3
Structure:
CAS RN: 58013-71-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H9Cl2NO2
MOLECULAR WEIGHT: 270.11136
SMILES: C1CC2=CC=CC3=C2N(C1)C(=O)C(C3=O)(Cl)Cl
Structure:
CAS RN: 61145-26-4
CAS Name: 3,3,6-trichloro-1H-quinoline-2,4-dione
OPENEYE Name: 3,3,6-trichloro-1H-quinoline-2,4-dione
IUPAC Name: 3,3,6-trichloro-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3,6-tris(chloranyl)-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C9H4Cl3NO2
MOLECULAR WEIGHT: 264.49256
SMILES: C1=CC2=C(C=C1Cl)C(=O)C(C(=O)N2)(Cl)Cl
Structure:
CAS RN: 359905-97-8
CAS Name: 3,3-dichloro-1-ethylquinoline-2,4-dione
OPENEYE Name: 3,3-dichloro-1-ethyl-quinoline-2,4-dione
IUPAC Name: 3,3-dichloro-1-ethylquinoline-2,4-dione
SYSTEMATIC NAME: 3,3-bis(chloranyl)-1-ethyl-quinoline-2,4-dione
MOLECULAR FORMULA: C11H9Cl2NO2
MOLECULAR WEIGHT: 258.10066
SMILES: CCN1C2=CC=CC=C2C(=O)C(C1=O)(Cl)Cl
Structure:
CAS RN: 1968-21-4
CAS Name: 3,3-dichloro-1-methylquinoline-2,4-dione
OPENEYE Name: 3,3-dichloro-1-methyl-quinoline-2,4-dione
IUPAC Name: 3,3-dichloro-1-methylquinoline-2,4-dione
SYSTEMATIC NAME: 3,3-bis(chloranyl)-1-methyl-quinoline-2,4-dione
MOLECULAR FORMULA: C10H7Cl2NO2
MOLECULAR WEIGHT: 244.07408
SMILES: CN1C2=CC=CC=C2C(=O)C(C1=O)(Cl)Cl
Structure:
CAS RN: 14944-78-6
CAS Name: 3,3-dichloro-1H-quinoline-2,4-dione
OPENEYE Name: 3,3-dichloro-1H-quinoline-2,4-dione
IUPAC Name: 3,3-dichloro-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3-bis(chloranyl)-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C9H5Cl2NO2
MOLECULAR WEIGHT: 230.0475
SMILES: C1=CC=C2C(=C1)C(=O)C(C(=O)N2)(Cl)Cl
Structure:
CAS RN: 392726-63-5
CAS Name: 1-methyl-4-phenylmethoxy-2-quinolinone
OPENEYE Name: 4-benzyloxy-1-methyl-quinolin-2-one
IUPAC Name: 1-methyl-4-phenylmethoxyquinolin-2-one
SYSTEMATIC NAME: 1-methyl-4-phenylmethoxy-quinolin-2-one
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: CN1C2=CC=CC=C2C(=CC1=O)OCC3=CC=CC=C3
Structure:
CAS RN: 279691-67-7
CAS Name: N,N-dimethylcarbamic acid (1-methyl-2-oxo-4-quinolinyl) ester
OPENEYE Name: (1-methyl-2-oxo-4-quinolyl) N,N-dimethylcarbamate
IUPAC Name: (1-methyl-2-oxoquinolin-4-yl) N,N-dimethylcarbamate
SYSTEMATIC NAME: (1-methyl-2-oxidanylidene-quinolin-4-yl) N,N-dimethylcarbamate
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CN1C2=CC=CC=C2C(=CC1=O)OC(=O)N(C)C
Structure:
CAS RN: 68903-67-3
CAS Name: 4-oxo-3-phenyliodonio-1H-quinolin-2-olate
OPENEYE Name: 4-oxo-3-phenyliodonio-1H-quinolin-2-olate
IUPAC Name: 4-oxo-3-phenyliodonio-1H-quinolin-2-olate
SYSTEMATIC NAME: 4-oxidanylidene-3-phenyliodonio-1H-quinolin-2-olate
MOLECULAR FORMULA: C15H10INO2
MOLECULAR WEIGHT: 363.14987
SMILES: C1=CC=C(C=C1)[I+]C2=C(NC3=CC=CC=C3C2=O)[O-]
Structure:
CAS RN: 86795-52-0
CAS Name: 4-oxo-3-phenyliodonio-1H-quinolin-2-olate
OPENEYE Name: 4-oxo-3-phenyliodonio-1H-quinolin-2-olate
IUPAC Name: 4-oxo-3-phenyliodonio-1H-quinolin-2-olate
SYSTEMATIC NAME: 4-oxidanylidene-3-phenyliodonio-1H-quinolin-2-olate
MOLECULAR FORMULA: C15H10INO2
MOLECULAR WEIGHT: 363.14987
SMILES: C1=CC=C(C=C1)[I+]C2=C(NC3=CC=CC=C3C2=O)[O-]
Structure:
CAS RN: 57625-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10ClNO
MOLECULAR WEIGHT: 219.6669
SMILES: C1CC2=CC=CC3=C2N(C1)C(=O)C=C3Cl
Structure:
CAS RN: 83609-80-7
CAS Name: 4-chloro-1,3-diphenyl-2-quinolinone
OPENEYE Name: 4-chloro-1,3-diphenyl-quinolin-2-one
IUPAC Name: 4-chloro-1,3-diphenylquinolin-2-one
SYSTEMATIC NAME: 4-chloranyl-1,3-diphenyl-quinolin-2-one
MOLECULAR FORMULA: C21H14ClNO
MOLECULAR WEIGHT: 331.79496
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)Cl
Structure:
CAS RN: 78859-72-0
CAS Name: benzoic acid [1-methyl-2-oxo-3-(phenylmethyl)-4-quinolinyl] ester
OPENEYE Name: (3-benzyl-1-methyl-2-oxo-4-quinolyl) benzoate
IUPAC Name: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate
SYSTEMATIC NAME: [1-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-4-yl] benzoate
MOLECULAR FORMULA: C24H19NO3
MOLECULAR WEIGHT: 369.41256
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 277299-01-1
CAS Name: benzenesulfonic acid [1-methyl-2-oxo-3-(phenylmethyl)-4-quinolinyl] ester
OPENEYE Name: (3-benzyl-1-methyl-2-oxo-4-quinolyl) benzenesulfonate
IUPAC Name: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzenesulfonate
SYSTEMATIC NAME: [1-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-4-yl] benzenesulfonate
MOLECULAR FORMULA: C23H19NO4S
MOLECULAR WEIGHT: 405.46626
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4
Structure:
CAS RN: 110229-40-8
CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-oxo-4-quinolinyl) ester
OPENEYE Name: (1-methyl-2-oxo-4-quinolyl) 4-methylbenzenesulfonate
IUPAC Name: (1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (1-methyl-2-oxidanylidene-quinolin-4-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C17H15NO4S
MOLECULAR WEIGHT: 329.3703
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)N(C3=CC=CC=C32)C
Structure:
CAS RN: 110229-50-0
CAS Name: 1-phenyl-3-(phenylmethyl)-4-[(phenylmethyl)amino]-2-quinolinone
OPENEYE Name: 3-benzyl-4-(benzylamino)-1-phenyl-quinolin-2-one
IUPAC Name: 3-benzyl-4-(benzylamino)-1-phenylquinolin-2-one
SYSTEMATIC NAME: 1-phenyl-3-(phenylmethyl)-4-[(phenylmethyl)amino]quinolin-2-one
MOLECULAR FORMULA: C29H24N2O
MOLECULAR WEIGHT: 416.51366
SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)NCC5=CC=CC=C5
Structure:
CAS RN: 5933-30-2
CAS Name: 6-methyl-2-pyridinecarbothioamide
OPENEYE Name: 6-methylpyridine-2-carbothioamide
IUPAC Name: 6-methylpyridine-2-carbothioamide
SYSTEMATIC NAME: 6-methylpyridine-2-carbothioamide
MOLECULAR FORMULA: C7H8N2S
MOLECULAR WEIGHT: 152.21682
SMILES: CC1=CC=CC(=N1)C(=S)N
Structure:
CAS RN: 21315-30-0
CAS Name: 3-butyl-2-hydroxy-1-benzopyran-4-one
OPENEYE Name: 3-butyl-2-hydroxy-chromen-4-one
IUPAC Name: 3-butyl-2-hydroxychromen-4-one
SYSTEMATIC NAME: 3-butyl-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CCCCC1=C(OC2=CC=CC=C2C1=O)O
Structure:
CAS RN: 54459-73-3
CAS Name: 1,3-dimethyl-5-(phenylmethylene)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-benzylidene-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-benzylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CN1C(=O)C(=CC2=CC=CC=C2)C(=O)N(C1=O)C
Structure:
CAS RN: 103929-61-9
CAS Name: 5-hydroxy-1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-hydroxy-1,3,5-triphenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-hydroxy-1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-oxidanyl-1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C22H16N2O4
MOLECULAR WEIGHT: 372.37344
SMILES: C1=CC=C(C=C1)C2(C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
Structure:
CAS RN: 79852-16-7
CAS Name: 6-chloro-3-phenyl-4-pyridazinamine
OPENEYE Name: 6-chloro-3-phenyl-pyridazin-4-amine
IUPAC Name: 6-chloro-3-phenylpyridazin-4-amine
SYSTEMATIC NAME: 6-chloranyl-3-phenyl-pyridazin-4-amine
MOLECULAR FORMULA: C10H8ClN3
MOLECULAR WEIGHT: 205.64362
SMILES: C1=CC=C(C=C1)C2=NN=C(C=C2N)Cl
Structure:
CAS RN: 37982-60-8
CAS Name: N,N-dimethylcarbamic acid (2-oxo-1-benzopyran-4-yl) ester
OPENEYE Name: (2-oxochromen-4-yl) N,N-dimethylcarbamate
IUPAC Name: (2-oxochromen-4-yl) N,N-dimethylcarbamate
SYSTEMATIC NAME: (2-oxidanylidenechromen-4-yl) N,N-dimethylcarbamate
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: CN(C)C(=O)OC1=CC(=O)OC2=CC=CC=C21
Structure:
CAS RN: 68903-66-2
CAS Name: 3-(phenyl-$l^{3}-iodanylidene)-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: 3-(phenyl-$l^{3}-iodanylidene)chromane-2,4-dione
IUPAC Name: 3-(phenyl-$l^{3}-iodanylidene)chromene-2,4-dione
SYSTEMATIC NAME: 3-(phenyl-$l^{3}-iodanylidene)chromene-2,4-dione
MOLECULAR FORMULA: C15H9IO3
MOLECULAR WEIGHT: 364.13463
SMILES: C1=CC=C(C=C1)I=C2C(=O)C3=CC=CC=C3OC2=O
Structure:
CAS RN: 110229-42-0
CAS Name: 4-chloro-3-(phenylmethyl)-1-benzopyran-2-one
OPENEYE Name: 3-benzyl-4-chloro-chromen-2-one
IUPAC Name: 3-benzyl-4-chlorochromen-2-one
SYSTEMATIC NAME: 4-chloranyl-3-(phenylmethyl)chromen-2-one
MOLECULAR FORMULA: C16H11ClO2
MOLECULAR WEIGHT: 270.71034
SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)Cl
Structure:
CAS RN: 685889-37-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: CCCCC1=C(N2C3=CC=CC=C3C4=C2C(=CC=C4)C1=O)O
Structure:
CAS RN: 18735-98-3
CAS Name: 5,11-dihydroindolo[3,2-c]quinolin-6-one
OPENEYE Name: 5,11-dihydroindolo[3,2-c]quinolin-6-one
IUPAC Name: 5,11-dihydroindolo[3,2-c]quinolin-6-one
SYSTEMATIC NAME: 5,11-dihydroindolo[3,2-c]quinolin-6-one
MOLECULAR FORMULA: C15H10N2O
MOLECULAR WEIGHT: 234.2527
SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4NC3=O
Structure:
CAS RN: 274691-54-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H15NO2
MOLECULAR WEIGHT: 325.36
SMILES: C1=CC=C(C=C1)CC2=C(N3C4=CC=CC=C4C5=C3C(=CC=C5)C2=O)O
Structure:
CAS RN: 263744-98-5
CAS Name: N,N'-bis[2-(trifluoromethoxy)phenyl]propanediamide
OPENEYE Name: N,N'-bis[2-(trifluoromethoxy)phenyl]propanediamide
IUPAC Name: N,N'-bis[2-(trifluoromethoxy)phenyl]propanediamide
SYSTEMATIC NAME: N,N'-bis[2-(trifluoromethyloxy)phenyl]propanediamide
MOLECULAR FORMULA: C17H12F6N2O4
MOLECULAR WEIGHT: 422.278599
SMILES: C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2OC(F)(F)F)OC(F)(F)F
Structure:
CAS RN: 56015-84-0
CAS Name: 1,1-diethyl-3-(4-methoxyphenyl)urea
OPENEYE Name: 1,1-diethyl-3-(4-methoxyphenyl)urea
IUPAC Name: 1,1-diethyl-3-(4-methoxyphenyl)urea
SYSTEMATIC NAME: 1,1-diethyl-3-(4-methoxyphenyl)urea
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CCN(CC)C(=O)NC1=CC=C(C=C1)OC
Structure:
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