Monday, October 31, 2011

http://ChemLookup.com Compounds




CAS RN: 32795-74-7
CAS Name: (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-N-ethyl-3,7-dimethylnona-2,6-dienamide
OPENEYE Name: (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-N-ethyl-3,7-dimethyl-nona-2,6-dienamide
IUPAC Name: (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-N-ethyl-3,7-dimethylnona-2,6-dienamide
SYSTEMATIC NAME: (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-N-ethyl-3,7-dimethyl-nona-2,6-dienamide
MOLECULAR FORMULA: C17H29NO2
MOLECULAR WEIGHT: 279.41766
SMILES: CCNC(=O)/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C
Structure:

CAS RN: 68134-08-7
CAS Name: 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[[4-(2-oxidanylpropylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-oxidanylpropylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C38H40N12O8S2
MOLECULAR WEIGHT: 856.9298
SMILES: CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NCC(C)O)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=CC=C6)O
Structure:

CAS RN: 32694-95-4
CAS Name: disodium 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-(2-oxidanylpropylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-oxidanylpropylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C38H38N12Na2O8S2
MOLECULAR WEIGHT: 900.89346
SMILES: CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NCC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6)O.[Na+].[Na+]
Structure:

CAS RN: 32013-85-7
CAS Name: (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)-2-furanone
OPENEYE Name: (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one
IUPAC Name: (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one
SYSTEMATIC NAME: (5E)-4-(hydroxymethyl)-5-(2-oxidanylethylidene)furan-2-one
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: C1=C(/C(=C\CO)/OC1=O)CO
Structure:

CAS RN: 1400-99-3
CAS Name: 2-[5-[(3E)-34-tert-butyl-18-[(5-hydroperoxy-3,4-dihydroxy-2-oxolanyl)oxy]-9,11,13,15,17,21,25,29,33-nonahydroxy-2,4,20,32-tetramethyl-35-oxo-1-cyclohexatriacont-3-enyl]-4-hydroxyhexyl]guanidine; sulfuric acid
OPENEYE Name: 2-[5-[(3E)-34-tert-butyl-18-(5-hydroperoxy-3,4-dihydroxy-tetrahydrofuran-2-yl)oxy-9,11,13,15,17,21,25,29,33-nonahydroxy-2,4,20,32-tetramethyl-35-oxo-cyclohexatriacont-3-en-1-yl]-4-hydroxy-hexyl]guanidine; sulfuric acid
IUPAC Name: 2-[5-[(3E)-34-tert-butyl-18-(5-hydroperoxy-3,4-dihydroxyoxolan-2-yl)oxy-9,11,13,15,17,21,25,29,33-nonahydroxy-2,4,20,32-tetramethyl-35-oxocyclohexatriacont-3-en-1-yl]-4-hydroxyhexyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[5-[(3E)-34-tert-butyl-18-[5-(dioxidanyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2,4,20,32-tetramethyl-9,11,13,15,17,21,25,29,33-nonakis(oxidanyl)-35-oxidanylidene-cyclohexatriacont-3-en-1-yl]-4-oxidanyl-hexyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C55H107N3O21S
MOLECULAR WEIGHT: 1178.51058
SMILES: CC1CCC(CCCC(CCCC(C(CC(C(CC(CC(CC(CC(CCCC/C(=C/C(C(CC(=O)C(C1O)C(C)(C)C)C(C)C(CCCN=C(N)N)O)C)/C)O)O)O)O)O)OC2C(C(C(O2)OO)O)O)C)O)O)O.OS(=O)(=O)O
Structure:

CAS RN: 30003-49-7
CAS Name: 2-[5-[(3E)-34-tert-butyl-18-[(5-hydroperoxy-3,4-dihydroxy-2-oxolanyl)oxy]-9,11,13,15,17,21,25,29,33-nonahydroxy-2,4,20,32-tetramethyl-35-oxo-1-cyclohexatriacont-3-enyl]-4-hydroxyhexyl]guanidine; sulfuric acid
OPENEYE Name: 2-[5-[(3E)-34-tert-butyl-18-(5-hydroperoxy-3,4-dihydroxy-tetrahydrofuran-2-yl)oxy-9,11,13,15,17,21,25,29,33-nonahydroxy-2,4,20,32-tetramethyl-35-oxo-cyclohexatriacont-3-en-1-yl]-4-hydroxy-hexyl]guanidine; sulfuric acid
IUPAC Name: 2-[5-[(3E)-34-tert-butyl-18-(5-hydroperoxy-3,4-dihydroxyoxolan-2-yl)oxy-9,11,13,15,17,21,25,29,33-nonahydroxy-2,4,20,32-tetramethyl-35-oxocyclohexatriacont-3-en-1-yl]-4-hydroxyhexyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[5-[(3E)-34-tert-butyl-18-[5-(dioxidanyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2,4,20,32-tetramethyl-9,11,13,15,17,21,25,29,33-nonakis(oxidanyl)-35-oxidanylidene-cyclohexatriacont-3-en-1-yl]-4-oxidanyl-hexyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C55H107N3O21S
MOLECULAR WEIGHT: 1178.51058
SMILES: CC1CCC(CCCC(CCCC(C(CC(C(CC(CC(CC(CC(CCCC/C(=C/C(C(CC(=O)C(C1O)C(C)(C)C)C(C)C(CCCN=C(N)N)O)C)/C)O)O)O)O)O)OC2C(C(C(O2)OO)O)O)C)O)O)O.OS(=O)(=O)O
Structure:

CAS RN: 29066-42-0
CAS Name: (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethylundeca-2,4-dienoic acid
OPENEYE Name: (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoic acid
IUPAC Name: (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoic acid
MOLECULAR FORMULA: C18H28O5
MOLECULAR WEIGHT: 324.41192
SMILES: C[C@H](CCCC[C@@H]1[C@H](C(=O)O1)CO)C/C(=C/C(=C/C(=O)O)/C)/C
Structure:

CAS RN: 28950-61-0
CAS Name: 5-(methylamino)-2-[(E)-2-[4-[[4-(4-morpholinyl)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 4-[[4-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonate; sodium
OPENEYE Name: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholino-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate; 4-[(4-methyl-6-morpholino-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
IUPAC Name: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 4-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
SYSTEMATIC NAME: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate; 4-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
MOLECULAR FORMULA: C42H42N12Na4O14S4-4
MOLECULAR WEIGHT: 1159.07396
SMILES: CC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)[O-])N3CCOCC3.CNC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)[O-])N5CCOCC5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na].[Na].[Na].[Na]
Structure:

CAS RN: 52276-79-6
CAS Name: 5-(methylamino)-2-[(E)-2-[4-[[4-(4-morpholinyl)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 4-[[4-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonate; sodium
OPENEYE Name: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholino-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate; 4-[(4-methyl-6-morpholino-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
IUPAC Name: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 4-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
SYSTEMATIC NAME: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate; 4-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
MOLECULAR FORMULA: C42H42N12Na4O14S4-4
MOLECULAR WEIGHT: 1159.07396
SMILES: CC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)[O-])N3CCOCC3.CNC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)[O-])N5CCOCC5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na].[Na].[Na].[Na]
Structure:

CAS RN: 78851-79-3
CAS Name: 5-(methylamino)-2-[(E)-2-[4-[[4-(4-morpholinyl)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 4-[[4-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonate; sodium
OPENEYE Name: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholino-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate; 4-[(4-methyl-6-morpholino-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
IUPAC Name: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 4-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
SYSTEMATIC NAME: 5-(methylamino)-2-[(E)-2-[4-[[4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate; 4-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate; sodium
MOLECULAR FORMULA: C42H42N12Na4O14S4-4
MOLECULAR WEIGHT: 1159.07396
SMILES: CC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)[O-])N3CCOCC3.CNC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)[O-])N5CCOCC5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na].[Na].[Na].[Na]
Structure:

CAS RN: 27409-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O11
MOLECULAR WEIGHT: 492.47252
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O
Structure:

CAS RN: 31200-45-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O11
MOLECULAR WEIGHT: 492.47252
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O
Structure:

CAS RN: 26328-04-1
CAS Name: (Z)-2-butenedioate; (E)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (Z)-but-2-enedioate; (E)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (Z)-but-2-enedioate; (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (Z)-but-2-enedioate; (E)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C26H33N3O9-2
MOLECULAR WEIGHT: 531.55492
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:

CAS RN: 28044-44-2
CAS Name: (Z)-2-butenedioate; (E)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (Z)-but-2-enedioate; (E)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (Z)-but-2-enedioate; (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (Z)-but-2-enedioate; (E)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C26H33N3O9-2
MOLECULAR WEIGHT: 531.55492
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:

CAS RN: 85611-43-4
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(CC3)OC1=O)(C)O)CO
Structure:

CAS RN: 82189-04-6
CAS Name: (2R)-2-[[cyclohexyl(oxo)methyl]amino]propanoic acid [(4E,6R,7S,8S,10E,12E,14E,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] ester
OPENEYE Name: [(4E,6R,7S,8S,10E,12E,14E,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
IUPAC Name: [(4E,6R,7S,8S,10E,12E,14E,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
SYSTEMATIC NAME: [(4E,6R,7S,8S,10E,12E,14E,16R)-16-methoxy-5,7-dimethyl-6,22,24-tris(oxidanyl)-18-oxidanylidene-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexylcarbonylamino)propanoate
MOLECULAR FORMULA: C36H50N2O8
MOLECULAR WEIGHT: 638.7908
SMILES: C[C@@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=C(C(=CC(=C2)O)CC/C=C(/[C@@H]1O)\C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3
Structure:

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