CAS RN: 57982-62-4
CAS Name: 1-(2,3-dimethyl-4-oxido-1-oxo-6-quinoxalin-1-iumyl)-N-methylmethanimine oxide
OPENEYE Name: 1-(2,3-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-6-yl)-N-methyl-methanimine oxide
IUPAC Name: 1-(2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-yl)-N-methylmethanimine oxide
SYSTEMATIC NAME: 1-(2,3-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-6-yl)-N-methyl-methanimine oxide
MOLECULAR FORMULA: C12H13N3O3
MOLECULAR WEIGHT: 247.24992
SMILES: CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)C=[N+](C)[O-])C
Structure:
CAS RN: 57948-19-3
CAS Name: 3-[(2,3-dimethyl-4-oxido-1-oxo-6-quinoxalin-1-iumyl)methylideneamino]-2-oxazolidinone
OPENEYE Name: 3-[(2,3-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-6-yl)methyleneamino]oxazolidin-2-one
IUPAC Name: 3-[(2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-yl)methylideneamino]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[(2,3-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-6-yl)methylideneamino]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C14H14N4O4
MOLECULAR WEIGHT: 302.28536
SMILES: CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)C=NN3CCOC3=O)C
Structure:
CAS RN: 57948-14-8
CAS Name: 2,3-dimethyl-4-oxido-1-oxo-6-quinoxalin-1-iumcarboxaldehyde
OPENEYE Name: 2,3-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-6-carbaldehyde
IUPAC Name: 2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-carbaldehyde
SYSTEMATIC NAME: 2,3-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-6-carbaldehyde
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)C=O)C
Structure:
CAS RN: 51472-68-5
CAS Name: 1,7,13,19-tetrathiacyclotetracosane
OPENEYE Name: 1,7,13,19-tetrathiacyclotetracosane
IUPAC Name: 1,7,13,19-tetrathiacyclotetracosane
SYSTEMATIC NAME: 1,7,13,19-tetrathiacyclotetracosane
MOLECULAR FORMULA: C20H40S4
MOLECULAR WEIGHT: 408.7916
SMILES: C1CCSCCCCCSCCCCCSCCCCCSCC1
Structure:
CAS RN: 51540-11-5
CAS Name: 1,4,8,11,15,18-hexathiacycloheneicosane
OPENEYE Name: 1,4,8,11,15,18-hexathiacyclohenicosane
IUPAC Name: 1,4,8,11,15,18-hexathiacyclohenicosane
SYSTEMATIC NAME: 1,4,8,11,15,18-hexathiacyclohenicosane
MOLECULAR FORMULA: C15H30S6
MOLECULAR WEIGHT: 402.7887
SMILES: C1CSCCSCCCSCCSCCCSCCSC1
Structure:
CAS RN: 296-41-3
CAS Name: 1,4,7,10,13,16-hexathiacyclooctadecane
OPENEYE Name: 1,4,7,10,13,16-hexathiacyclooctadecane
IUPAC Name: 1,4,7,10,13,16-hexathiacyclooctadecane
SYSTEMATIC NAME: 1,4,7,10,13,16-hexathiacyclooctadecane
MOLECULAR FORMULA: C12H24S6
MOLECULAR WEIGHT: 360.70896
SMILES: C1CSCCSCCSCCSCCSCCS1
Structure:
CAS RN: 53333-41-8
CAS Name: N,N-diethyl-4,4-dimethyl-N'-[3-(4-methyl-1-piperazinyl)propyl]-3-oxopentanimidamide
OPENEYE Name: N,N-diethyl-4,4-dimethyl-N'-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-pentanamidine
IUPAC Name: N,N-diethyl-4,4-dimethyl-N'-[3-(4-methylpiperazin-1-yl)propyl]-3-oxopentanimidamide
SYSTEMATIC NAME: N,N-diethyl-4,4-dimethyl-N'-[3-(4-methylpiperazin-1-yl)propyl]-3-oxidanylidene-pentanimidamide
MOLECULAR FORMULA: C19H38N4O
MOLECULAR WEIGHT: 338.53122
SMILES: CCN(CC)C(=NCCCN1CCN(CC1)C)CC(=O)C(C)(C)C
Structure:
CAS RN: 53333-28-1
CAS Name: 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethanone
OPENEYE Name: 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-ethanone
IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: C1CN=C(N1)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 52704-73-1
CAS Name: 10-methyl-2-(trifluoromethyl)-3-[2-(trifluoromethyl)-10-phenothiazinyl]phenothiazine
OPENEYE Name: 10-methyl-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
IUPAC Name: 10-methyl-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
SYSTEMATIC NAME: 10-methyl-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
MOLECULAR FORMULA: C27H16F6N2S2
MOLECULAR WEIGHT: 546.549759
SMILES: CN1C2=CC=CC=C2SC3=C1C=C(C(=C3)N4C5=CC=CC=C5SC6=C4C=C(C=C6)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 52663-88-4
CAS Name: 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-3-[2-(trifluoromethyl)-10-phenothiazinyl]phenothiazine
OPENEYE Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
SYSTEMATIC NAME: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
MOLECULAR FORMULA: C34H30F6N4S2
MOLECULAR WEIGHT: 672.749219
SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C(=C4)N5C6=CC=CC=C6SC7=C5C=C(C=C7)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 62409-82-9
CAS Name: 4-(1-sulfanylideneoctylthio)butanoic acid
OPENEYE Name: 4-octanethioylsulfanylbutanoic acid
IUPAC Name: 4-octanethioylsulfanylbutanoic acid
SYSTEMATIC NAME: 4-octanethioylsulfanylbutanoic acid
MOLECULAR FORMULA: C12H22O2S2
MOLECULAR WEIGHT: 262.43188
SMILES: CCCCCCCC(=S)SCCCC(=O)O
Structure:
CAS RN: 36122-42-6
CAS Name: 4-[[(4-methoxyphenyl)-sulfanylidenemethyl]thio]butanoic acid
OPENEYE Name: 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoic acid
IUPAC Name: 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoic acid
SYSTEMATIC NAME: 4-(4-methoxyphenyl)carbothioylsulfanylbutanoic acid
MOLECULAR FORMULA: C12H14O3S2
MOLECULAR WEIGHT: 270.36776
SMILES: COC1=CC=C(C=C1)C(=S)SCCCC(=O)O
Structure:
CAS RN: 56666-66-1
CAS Name: 4-(benzenecarbonothioylthio)butanoic acid
OPENEYE Name: 4-(benzenecarbonothioylsulfanyl)butanoic acid
IUPAC Name: 4-(benzenecarbonothioylsulfanyl)butanoic acid
SYSTEMATIC NAME: 4-(benzenecarbonothioylsulfanyl)butanoic acid
MOLECULAR FORMULA: C11H12O2S2
MOLECULAR WEIGHT: 240.34178
SMILES: C1=CC=C(C=C1)C(=S)SCCCC(=O)O
Structure:
CAS RN: 60896-00-6
CAS Name: N,N-diethyl-2,3,3,4,4-pentafluoro-5-phenylmethoxypentanamide
OPENEYE Name: 5-benzyloxy-N,N-diethyl-2,3,3,4,4-pentafluoro-pentanamide
IUPAC Name: N,N-diethyl-2,3,3,4,4-pentafluoro-5-phenylmethoxypentanamide
SYSTEMATIC NAME: N,N-diethyl-2,3,3,4,4-pentakis(fluoranyl)-5-phenylmethoxy-pentanamide
MOLECULAR FORMULA: C16H20F5NO2
MOLECULAR WEIGHT: 353.327516
SMILES: CCN(CC)C(=O)C(C(C(COCC1=CC=CC=C1)(F)F)(F)F)F
Structure:
CAS RN: 60895-99-0
CAS Name: N,N,N',N'-tetraethyl-2,3,3,4,4,5-hexafluorohexanediamide
OPENEYE Name: N,N,N',N'-tetraethyl-2,3,3,4,4,5-hexafluoro-hexanediamide
IUPAC Name: N,N,N',N'-tetraethyl-2,3,3,4,4,5-hexafluorohexanediamide
SYSTEMATIC NAME: N,N,N',N'-tetraethyl-2,3,3,4,4,5-hexakis(fluoranyl)hexanediamide
MOLECULAR FORMULA: C14H22F6N2O2
MOLECULAR WEIGHT: 364.327099
SMILES: CCN(CC)C(=O)C(C(C(C(C(=O)N(CC)CC)F)(F)F)(F)F)F
Structure:
CAS RN: 63186-23-2
CAS Name: 2-chloro-3-(2-chloroprop-1-enyl)quinoxaline
OPENEYE Name: 2-chloro-3-(2-chloroprop-1-enyl)quinoxaline
IUPAC Name: 2-chloro-3-(2-chloroprop-1-enyl)quinoxaline
SYSTEMATIC NAME: 2-chloranyl-3-(2-chloranylprop-1-enyl)quinoxaline
MOLECULAR FORMULA: C11H8Cl2N2
MOLECULAR WEIGHT: 239.10062
SMILES: CC(=CC1=NC2=CC=CC=C2N=C1Cl)Cl
Structure:
CAS RN: 63186-19-6
CAS Name: 3-methyl-1-phenyl-3H-pyrrolo[3,2-b]quinoxalin-2-one
OPENEYE Name: 3-methyl-1-phenyl-3H-pyrrolo[3,2-b]quinoxalin-2-one
IUPAC Name: 3-methyl-1-phenyl-3H-pyrrolo[3,2-b]quinoxalin-2-one
SYSTEMATIC NAME: 3-methyl-1-phenyl-3H-pyrrolo[3,2-b]quinoxalin-2-one
MOLECULAR FORMULA: C17H13N3O
MOLECULAR WEIGHT: 275.30462
SMILES: CC1C2=NC3=CC=CC=C3N=C2N(C1=O)C4=CC=CC=C4
Structure:
CAS RN: 62435-22-7
CAS Name: 2,4-dimethoxy-5-(1-oxo-3-pyridin-4-ylprop-2-enyl)benzoic acid
OPENEYE Name: 2,4-dimethoxy-5-[3-(4-pyridyl)prop-2-enoyl]benzoic acid
IUPAC Name: 2,4-dimethoxy-5-(3-pyridin-4-ylprop-2-enoyl)benzoic acid
SYSTEMATIC NAME: 2,4-dimethoxy-5-(3-pyridin-4-ylprop-2-enoyl)benzoic acid
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: COC1=CC(=C(C=C1C(=O)C=CC2=CC=NC=C2)C(=O)O)OC
Structure:
CAS RN: 62435-21-6
CAS Name: 5-[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-2,4-dimethoxybenzoic acid
OPENEYE Name: 5-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,4-dimethoxy-benzoic acid
IUPAC Name: 5-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,4-dimethoxybenzoic acid
SYSTEMATIC NAME: 5-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,4-dimethoxy-benzoic acid
MOLECULAR FORMULA: C20H20O7
MOLECULAR WEIGHT: 372.3686
SMILES: COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2OC)OC)C(=O)O)OC
Structure:
CAS RN: 62317-31-1
CAS Name: 2-(6-aminopurin-9-yl)-5-(diaminophosphoryloxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-aminopurin-9-yl)-5-(diaminophosphoryloxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-aminopurin-9-yl)-5-(diaminophosphoryloxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-[bis(azanyl)phosphoryloxymethyl]oxolane-3,4-diol
MOLECULAR FORMULA: C10H16N7O5P
MOLECULAR WEIGHT: 345.251701
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(N)N)O)O
Structure:
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