Wednesday, September 28, 2011

http://ChemLookup.com Compounds




CAS RN: 20702-80-1
CAS Name: (2R)-2-amino-3-[(S)-butylsulfinyl]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(S)-butylsulfinyl]propanoic acid
IUPAC Name: (2R)-2-amino-3-[(S)-butylsulfinyl]propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[(S)-butylsulfinyl]propanoic acid
MOLECULAR FORMULA: C7H15NO3S
MOLECULAR WEIGHT: 193.2639
SMILES: CCCC[S@](=O)C[C@@H](C(=O)O)N
Structure:

CAS RN: 192939-46-1
CAS Name: 2-[[(1R)-2-[(2S)-2-[[[4-[(Z)-amino(hydroxyimino)methyl]phenyl]methylamino]-oxomethyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxo-ethyl]amino]acetate
IUPAC Name: ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate
MOLECULAR FORMULA: C24H35N5O5
MOLECULAR WEIGHT: 473.5652
SMILES: CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N
Structure:

CAS RN: 1262-30-2
CAS Name: N2,N4-bis[(E)-(2-methoxy-1-naphthalenyl)methylideneamino]-5-nitropyrimidine-2,4-diamine
OPENEYE Name: N2,N4-bis[(E)-(2-methoxy-1-naphthyl)methyleneamino]-5-nitro-pyrimidine-2,4-diamine
IUPAC Name: 2-N,4-N-bis[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-nitropyrimidine-2,4-diamine
SYSTEMATIC NAME: N2,N4-bis[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C28H23N7O4
MOLECULAR WEIGHT: 521.52672
SMILES: COC1=C(C2=CC=CC=C2C=C1)/C=N/NC3=NC(=NC=C3[N+](=O)[O-])N/N=C/C4=C(C=CC5=CC=CC=C54)OC
Structure:

CAS RN: 26907-35-7
CAS Name: N,N'-bis(1,3,4-thiadiazol-2-yl)methanimidamide
OPENEYE Name: N,N'-bis(1,3,4-thiadiazol-2-yl)formamidine
IUPAC Name: N,N'-bis(1,3,4-thiadiazol-2-yl)methanimidamide
SYSTEMATIC NAME: N,N'-bis(1,3,4-thiadiazol-2-yl)methanimidamide
MOLECULAR FORMULA: C5H4N6S2
MOLECULAR WEIGHT: 212.25546
SMILES: C1=NN=C(S1)N/C=N/C2=NN=CS2
Structure:

CAS RN: 90324-27-9
CAS Name: N,N'-bis(2-pyrimidinyl)methanimidamide
OPENEYE Name: N,N'-di(pyrimidin-2-yl)formamidine
IUPAC Name: N,N'-di(pyrimidin-2-yl)methanimidamide
SYSTEMATIC NAME: N,N'-di(pyrimidin-2-yl)methanimidamide
MOLECULAR FORMULA: C9H8N6
MOLECULAR WEIGHT: 200.20002
SMILES: C1=CN=C(N=C1)N/C=N/C2=NC=CC=N2
Structure:

CAS RN: 15592-33-3
CAS Name: (1E)-N-sulfooxyethanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-sulfooxyethanimidothioate
IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyethanimidothioate
SYSTEMATIC NAME: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-N-sulfooxyethanimidothioate
MOLECULAR FORMULA: C8H15NO9S2
MOLECULAR WEIGHT: 333.336
SMILES: C/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O
Structure:

CAS RN: 7599-20-4
CAS Name: 2-[(5E,6E)-5,6-bis[(4-bromophenyl)hydrazinylidene]-1,2,4-trihydroxyhexan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[(3E,4E)-3,4-bis[(4-bromophenyl)hydrazono]-1-(1,2-dihydroxyethyl)-2-hydroxy-butoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[(5E,6E)-5,6-bis[(4-bromophenyl)hydrazinylidene]-1,2,4-trihydroxyhexan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[(5E,6E)-5,6-bis[(4-bromophenyl)hydrazinylidene]-1,2,4-tris(oxidanyl)hexan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C24H30Br2N4O9
MOLECULAR WEIGHT: 678.3244
SMILES: C1=CC(=CC=C1N/N=C/C(=N\NC2=CC=C(C=C2)Br)/C(C(C(CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)Br
Structure:

CAS RN: 7596-20-5
CAS Name: 3-ethylpentanoic acid [(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-phenylphenyl)ethyl] ester
OPENEYE Name: [(2Z)-2-[(2,4-dinitrophenyl)hydrazono]-2-(4-phenylphenyl)ethyl] 3-ethylpentanoate
IUPAC Name: [(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-phenylphenyl)ethyl] 3-ethylpentanoate
SYSTEMATIC NAME: [(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-phenylphenyl)ethyl] 3-ethylpentanoate
MOLECULAR FORMULA: C27H28N4O6
MOLECULAR WEIGHT: 504.53442
SMILES: CCC(CC)CC(=O)OC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=C(C=C2)C3=CC=CC=C3
Structure:

CAS RN: 89331-52-2
CAS Name: N-[2-[[3-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]oxy-2-hydroxypropyl]amino]ethyl]-2-methylpropanamide
OPENEYE Name: N-[2-[[3-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]oxy-2-hydroxy-propyl]amino]ethyl]-2-methyl-propanamide
IUPAC Name: N-[2-[[3-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]oxy-2-hydroxypropyl]amino]ethyl]-2-methylpropanamide
SYSTEMATIC NAME: N-[2-[[3-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]oxy-2-oxidanyl-propyl]amino]ethyl]-2-methyl-propanamide
MOLECULAR FORMULA: C19H32N4O3
MOLECULAR WEIGHT: 364.48238
SMILES: CC(C)C(=O)NCCNCC(CO/N=C(\C)/C1=CC=C(C=C1)N(C)C)O
Structure:

CAS RN: 14918-39-9
CAS Name: (3E,6E)-3,6-bis[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid
OPENEYE Name: (3E,6E)-3,6-bis[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonic acid
IUPAC Name: (3E,6E)-3,6-bis[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3E,6E)-3,6-bis[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C32H28N8O10S2
MOLECULAR WEIGHT: 748.74232
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/N=C/3\C(=O)C4=C(C=C(/C(=N/NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)/C4=O)S(=O)(=O)O)C=C3S(=O)(=O)O
Structure:

CAS RN: 73996-86-8
CAS Name: N-[2-methyl-4,5-diphenyl-3-[(E)-(phenylmethylene)amino]-1-imidazolidinyl]-1-phenylmethanimine
OPENEYE Name: N-[3-[(E)-benzylideneamino]-2-methyl-4,5-diphenyl-imidazolidin-1-yl]-1-phenyl-methanimine
IUPAC Name: N-[3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
SYSTEMATIC NAME: N-[2-methyl-4,5-diphenyl-3-[(E)-(phenylmethylidene)amino]imidazolidin-1-yl]-1-phenyl-methanimine
MOLECULAR FORMULA: C30H28N4
MOLECULAR WEIGHT: 444.57012
SMILES: CC1N(C(C(N1/N=C/C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/N=C/C5=CC=CC=C5
Structure:

CAS RN: 73996-82-4
CAS Name: N-[4,5-diphenyl-3-[(E)-(phenylmethylene)amino]-1-imidazolidinyl]-1-phenylmethanimine
OPENEYE Name: N-[3-[(E)-benzylideneamino]-4,5-diphenyl-imidazolidin-1-yl]-1-phenyl-methanimine
IUPAC Name: N-[3-[(E)-benzylideneamino]-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
SYSTEMATIC NAME: N-[4,5-diphenyl-3-[(E)-(phenylmethylidene)amino]imidazolidin-1-yl]-1-phenyl-methanimine
MOLECULAR FORMULA: C29H26N4
MOLECULAR WEIGHT: 430.54354
SMILES: C1N(C(C(N1/N=C/C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/N=C/C5=CC=CC=C5
Structure:

CAS RN: 63551-53-1
CAS Name: 2-[(E)-(3-methyl-2-nitro-4-imidazolyl)methylideneamino]guanidine
OPENEYE Name: 2-[(E)-(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]guanidine
IUPAC Name: 2-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]guanidine
SYSTEMATIC NAME: 2-[(E)-(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]guanidine
MOLECULAR FORMULA: C6H9N7O2
MOLECULAR WEIGHT: 211.18136
SMILES: CN1C(=CN=C1[N+](=O)[O-])/C=N/N=C(N)N
Structure:

CAS RN: 82585-55-5
CAS Name: 2-[(2E)-2-hydroxyimino-2-[4-(trifluoromethyl)phenyl]ethyl]isoindole-1,3-dione
OPENEYE Name: 2-[(2E)-2-hydroxyimino-2-[4-(trifluoromethyl)phenyl]ethyl]isoindoline-1,3-dione
IUPAC Name: 2-[(2E)-2-hydroxyimino-2-[4-(trifluoromethyl)phenyl]ethyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2E)-2-hydroxyimino-2-[4-(trifluoromethyl)phenyl]ethyl]isoindole-1,3-dione
MOLECULAR FORMULA: C17H11F3N2O3
MOLECULAR WEIGHT: 348.27605
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C/C(=N/O)/C3=CC=C(C=C3)C(F)(F)F
Structure:

CAS RN: 82588-58-7
CAS Name: 4-methyl-N-[(E)-[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-yl]methylideneamino]benzenesulfonamide
OPENEYE Name: 4-methyl-N-[(E)-[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-yl]methyleneamino]benzenesulfonamide
IUPAC Name: 4-methyl-N-[(E)-[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(E)-[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzenesulfonamide
MOLECULAR FORMULA: C25H22N4O2S2
MOLECULAR WEIGHT: 474.59778
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(N=C3N2CCS3)C4=CC=C(C=C4)C5=CC=CC=C5
Structure:

CAS RN: 62442-86-8
CAS Name: N-[(4E)-4-(benzenesulfonylimino)-3-methyl-1-cyclohexa-2,5-dienylidene]-2-bromoacetamide
OPENEYE Name: N-[(4E)-4-(benzenesulfonylimino)-3-methyl-cyclohexa-2,5-dien-1-ylidene]-2-bromo-acetamide
IUPAC Name: N-[(4E)-4-(benzenesulfonylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]-2-bromoacetamide
SYSTEMATIC NAME: 2-bromanyl-N-[(4E)-3-methyl-4-(phenylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]ethanamide
MOLECULAR FORMULA: C15H13BrN2O3S
MOLECULAR WEIGHT: 381.24432
SMILES: CC\1=CC(=NC(=O)CBr)C=C/C1=N\S(=O)(=O)C2=CC=CC=C2
Structure:

CAS RN: 125092-67-3
CAS Name: (5E)-5-[(1-anilino-1,3-dioxobutan-2-yl)hydrazinylidene]-3-nitro-6-oxo-1-cyclohexa-1,3-dienesulfonic acid
OPENEYE Name: (5E)-3-nitro-6-oxo-5-[[2-oxo-1-(phenylcarbamoyl)propyl]hydrazono]cyclohexa-1,3-diene-1-sulfonic acid
IUPAC Name: (5E)-5-[(1-anilino-1,3-dioxobutan-2-yl)hydrazinylidene]-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonic acid
SYSTEMATIC NAME: (5E)-5-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid
MOLECULAR FORMULA: C16H14N4O8S
MOLECULAR WEIGHT: 422.36936
SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1)N/N=C/2\C=C(C=C(C2=O)S(=O)(=O)O)[N+](=O)[O-]
Structure:

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