Monday, December 5, 2011

http://ChemLookup.com Compounds




CAS RN: 3489-07-4
CAS Name: 6-[(4-iodoanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(4-iodoanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(4-iodoanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[(4-iodophenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10INO
MOLECULAR WEIGHT: 323.12907
SMILES: C1=CC(=CNC2=CC=C(C=C2)I)C(=O)C=C1
Structure:

CAS RN: 92850-37-8
CAS Name: 6-[(2,4-dimethylanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(2,4-dimethylanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(2,4-dimethylanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[(2,4-dimethylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: CC1=CC(=C(C=C1)NC=C2C=CC=CC2=O)C
Structure:

CAS RN: 15667-99-9
CAS Name: 6-(anilinomethylidene)-4-nitro-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-(anilinomethylene)-4-nitro-cyclohexa-2,4-dien-1-one
IUPAC Name: 6-(anilinomethylidene)-4-nitrocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-nitro-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10N2O3
MOLECULAR WEIGHT: 242.2301
SMILES: C1=CC=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]
Structure:

CAS RN: 15729-56-3
CAS Name: 4-bromo-6-[(2-methylanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-bromo-6-[(2-methylanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 4-bromo-6-[(2-methylanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-bromanyl-6-[[(2-methylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H12BrNO
MOLECULAR WEIGHT: 290.15518
SMILES: CC1=CC=CC=C1NC=C2C=C(C=CC2=O)Br
Structure:

CAS RN: 16434-83-6
CAS Name: 4-bromo-6-[(phenylhydrazo)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-bromo-6-[(2-phenylhydrazino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 4-bromo-6-[(2-phenylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-bromanyl-6-[(2-phenylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H11BrN2O
MOLECULAR WEIGHT: 291.14324
SMILES: C1=CC=C(C=C1)NNC=C2C=C(C=CC2=O)Br
Structure:

CAS RN: 59036-45-2
CAS Name: [[(E)-3-chloroprop-2-enyl]thio]benzene
OPENEYE Name: [(E)-3-chloroallyl]sulfanylbenzene
IUPAC Name: [(E)-3-chloroprop-2-enyl]sulfanylbenzene
SYSTEMATIC NAME: [(E)-3-chloranylprop-2-enyl]sulfanylbenzene
MOLECULAR FORMULA: C9H9ClS
MOLECULAR WEIGHT: 184.68576
SMILES: C1=CC=C(C=C1)SC/C=C/Cl
Structure:

CAS RN: 51637-56-0
CAS Name: [[(E)-3-chlorobut-2-enyl]thio]benzene
OPENEYE Name: [(E)-3-chlorobut-2-enyl]sulfanylbenzene
IUPAC Name: [(E)-3-chlorobut-2-enyl]sulfanylbenzene
SYSTEMATIC NAME: [(E)-3-chloranylbut-2-enyl]sulfanylbenzene
MOLECULAR FORMULA: C10H11ClS
MOLECULAR WEIGHT: 198.71234
SMILES: C/C(=C\CSC1=CC=CC=C1)/Cl
Structure:

CAS RN: 23018-26-0
CAS Name: 1,4-dimethyl-2-[(Z)-2-nitroethenyl]dibenzofuran
OPENEYE Name: 1,4-dimethyl-2-[(Z)-2-nitrovinyl]dibenzofuran
IUPAC Name: 1,4-dimethyl-2-[(Z)-2-nitroethenyl]dibenzofuran
SYSTEMATIC NAME: 1,4-dimethyl-2-[(Z)-2-nitroethenyl]dibenzofuran
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: CC1=C2C(=C(C(=C1)/C=C\[N+](=O)[O-])C)C3=CC=CC=C3O2
Structure:

CAS RN: 26389-98-0
CAS Name: 2,6-dibromo-4-[(E)-1-indenylidenemethyl]-N-methylaniline
OPENEYE Name: 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]-N-methyl-aniline
IUPAC Name: 2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[(E)-inden-1-ylidenemethyl]-N-methyl-aniline
MOLECULAR FORMULA: C17H13Br2N
MOLECULAR WEIGHT: 391.09982
SMILES: CNC1=C(C=C(C=C1Br)/C=C/2\C=CC3=CC=CC=C32)Br
Structure:

CAS RN: 27973-72-4
CAS Name: (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyl-2-oxanyl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylene-2-oxanyl]acetamide
OPENEYE Name: (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
IUPAC Name: (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SYSTEMATIC NAME: (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-oxidanyl-oxan-2-yl]-methoxy-methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]-2-oxidanyl-ethanamide
MOLECULAR FORMULA: C25H45NO9
MOLECULAR WEIGHT: 503.6261
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]([C@@H]2C[C@H](C([C@H](O2)C[C@@H](COC)OC)(C)C)O)OC)O)OC)C
Structure:

CAS RN: 5096-49-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO6
MOLECULAR WEIGHT: 351.3942
SMILES: C/C=C\1/CC(C(C(=O)OCC2=CCN3C2C(C(C3)O)OC1=O)(C)O)C
Structure:

CAS RN: 19359-69-4
CAS Name: 8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C5H3N5O2
MOLECULAR WEIGHT: 165.10962
SMILES: C1=NC2=C(NC(=O)NC2=O)N=N1
Structure:

CAS RN: 30296-46-9
CAS Name: 2,6-diamino-5-[(3,4-dimethylphenyl)hydrazinylidene]-4-pyrimidinone
OPENEYE Name: 2,6-diamino-5-[(3,4-dimethylphenyl)hydrazono]pyrimidin-4-one
IUPAC Name: 2,6-diamino-5-[(3,4-dimethylphenyl)hydrazinylidene]pyrimidin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-5-[(3,4-dimethylphenyl)hydrazinylidene]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N6O
MOLECULAR WEIGHT: 258.27916
SMILES: CC1=C(C=C(C=C1)NN=C2C(=NC(=NC2=O)N)N)C
Structure:

CAS RN: 30188-95-5
CAS Name: 2,6-diamino-5-[(3-methoxyphenyl)hydrazinylidene]-4-pyrimidinone
OPENEYE Name: 2,6-diamino-5-[(3-methoxyphenyl)hydrazono]pyrimidin-4-one
IUPAC Name: 2,6-diamino-5-[(3-methoxyphenyl)hydrazinylidene]pyrimidin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-5-[(3-methoxyphenyl)hydrazinylidene]pyrimidin-4-one
MOLECULAR FORMULA: C11H12N6O2
MOLECULAR WEIGHT: 260.25198
SMILES: COC1=CC=CC(=C1)NN=C2C(=NC(=NC2=O)N)N
Structure:

CAS RN: 515-58-2
CAS Name: 6-oxo-3-[[4-(2-thiazolylsulfamoyl)phenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: 6-oxo-3-[[4-(thiazol-2-ylsulfamoyl)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: 6-oxo-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: 6-oxidanylidene-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C16H12N4O5S2
MOLECULAR WEIGHT: 404.42028
SMILES: C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)O)S(=O)(=O)NC3=NC=CS3
Structure:

CAS RN: 29822-13-7
CAS Name: 4-[2-(3-hexyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide
OPENEYE Name: 4-[2-(3-hexyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
IUPAC Name: 4-[2-(3-hexyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[2-(3-hexyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C23H27N5O4S
MOLECULAR WEIGHT: 469.55658
SMILES: CCCCCCC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C)C(=O)C=C1O
Structure:

CAS RN: 29822-14-8
CAS Name: N-(2,6-dimethyl-4-pyrimidinyl)-4-[2-(3-hexyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonamide
OPENEYE Name: N-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-hexyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonamide
IUPAC Name: N-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-hexyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonamide
SYSTEMATIC NAME: N-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-hexyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonamide
MOLECULAR FORMULA: C24H29N5O4S
MOLECULAR WEIGHT: 483.58316
SMILES: CCCCCCC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C)C(=O)C=C1O
Structure:

CAS RN: 15591-59-0
CAS Name: 4-[2-(3-hexyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-N-(2-thiazolyl)benzenesulfonamide
OPENEYE Name: 4-[2-(3-hexyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-N-thiazol-2-yl-benzenesulfonamide
IUPAC Name: 4-[2-(3-hexyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[2-(3-hexyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C21H24N4O4S2
MOLECULAR WEIGHT: 460.56966
SMILES: CCCCCCC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)C=C1O
Structure:

CAS RN: 29817-69-4
CAS Name: 4-[2-[4-amino-2-(methylthio)-6-oxo-5-pyrimidinylidene]hydrazinyl]-N-(2-pyridinyl)benzenesulfonamide
OPENEYE Name: 4-[2-(4-amino-2-methylsulfanyl-6-oxo-pyrimidin-5-ylidene)hydrazino]-N-(2-pyridyl)benzenesulfonamide
IUPAC Name: 4-[2-(4-amino-2-methylsulfanyl-6-oxopyrimidin-5-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: 4-[2-(4-azanyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-ylidene)hydrazinyl]-N-pyridin-2-yl-benzenesulfonamide
MOLECULAR FORMULA: C16H15N7O3S2
MOLECULAR WEIGHT: 417.4654
SMILES: CSC1=NC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=N1)N
Structure:

CAS RN: 29817-70-7
CAS Name: 4-[2-[4-amino-2-(methylthio)-6-oxo-5-pyrimidinylidene]hydrazinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
OPENEYE Name: 4-[2-(4-amino-2-methylsulfanyl-6-oxo-pyrimidin-5-ylidene)hydrazino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
IUPAC Name: 4-[2-(4-amino-2-methylsulfanyl-6-oxopyrimidin-5-ylidene)hydrazinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[2-(4-azanyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-ylidene)hydrazinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C14H14N8O3S3
MOLECULAR WEIGHT: 438.50776
SMILES: CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C(=NC(=NC3=O)SC)N
Structure:

CAS RN: 17174-60-6
CAS Name: 4-[2-[4-amino-2-(methylthio)-6-oxo-5-pyrimidinylidene]hydrazinyl]-N-(2-thiazolyl)benzenesulfonamide
OPENEYE Name: 4-[2-(4-amino-2-methylsulfanyl-6-oxo-pyrimidin-5-ylidene)hydrazino]-N-thiazol-2-yl-benzenesulfonamide
IUPAC Name: 4-[2-(4-amino-2-methylsulfanyl-6-oxopyrimidin-5-ylidene)hydrazinyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[2-(4-azanyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-ylidene)hydrazinyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C14H13N7O3S3
MOLECULAR WEIGHT: 423.49312
SMILES: CSC1=NC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=N1)N
Structure:

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