CAS RN: 35963-20-3
CAS Name: [(4R)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
OPENEYE Name: [(1R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
IUPAC Name: [(4R)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
SYSTEMATIC NAME: [(4R)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid
MOLECULAR FORMULA: C10H16O4S
MOLECULAR WEIGHT: 232.29664
SMILES: CC1(C2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C
Structure:
CAS RN: 80799-31-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37NO8S
MOLECULAR WEIGHT: 571.68168
SMILES: CC1(C2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C.COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
Structure:
CAS RN: 130799-34-7
CAS Name: 2-(methylamino)benzoic acid [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate
IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
MOLECULAR FORMULA: C18H23N6O14P3
MOLECULAR WEIGHT: 640.328303
SMILES: CNC1=CC=CC=C1C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 130798-64-0
CAS Name: 4-hydroxy-5-[[4-[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
OPENEYE Name: 4-hydroxy-5-[[4-[4-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
IUPAC Name: 4-hydroxy-5-[[4-[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-oxidanyl-5-[[4-[4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C32H24N2O18S6
MOLECULAR WEIGHT: 916.92556
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)S(=O)(=O)NC5=C6C(=CC(=C5)S(=O)(=O)O)C=C(C=C6O)S(=O)(=O)O
Structure:
CAS RN: 130798-65-1
CAS Name: 4-hydroxy-5-[[4-[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
OPENEYE Name: 4-hydroxy-5-[[4-[4-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
IUPAC Name: 4-hydroxy-5-[[4-[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-oxidanyl-5-[[4-[4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C32H24N2O18S6
MOLECULAR WEIGHT: 916.92556
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)S(=O)(=O)NC5=C6C(=CC(=C5)S(=O)(=O)O)C=C(C=C6O)S(=O)(=O)O
Structure:
CAS RN: 130783-39-0
CAS Name: 4-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzamide
OPENEYE Name: 4-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]butyl]benzamide
IUPAC Name: 4-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzamide
SYSTEMATIC NAME: 4-[3-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]butyl]benzamide
MOLECULAR FORMULA: C19H24N2O4
MOLECULAR WEIGHT: 344.40486
SMILES: CC(CCC1=CC=C(C=C1)C(=O)N)NCC(C2=CC(=C(C=C2)O)O)O
Structure:
CAS RN: 130755-94-1
CAS Name: 2-[(1,3-dioxo-2-indenylidene)amino]acetic acid
OPENEYE Name: 2-[(1,3-dioxoindan-2-ylidene)amino]acetic acid
IUPAC Name: 2-[(1,3-dioxoinden-2-ylidene)amino]acetic acid
SYSTEMATIC NAME: 2-[[1,3-bis(oxidanylidene)inden-2-ylidene]amino]ethanoic acid
MOLECULAR FORMULA: C11H7NO4
MOLECULAR WEIGHT: 217.17758
SMILES: C1=CC=C2C(=C1)C(=O)C(=NCC(=O)O)C2=O
Structure:
CAS RN: 130755-08-7
CAS Name: 4-[2-[2-azido-4-(phenylmethyl)phenoxy]ethyl]morpholine
OPENEYE Name: 4-[2-(2-azido-4-benzyl-phenoxy)ethyl]morpholine
IUPAC Name: 4-[2-(2-azido-4-benzylphenoxy)ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[2-azido-4-(phenylmethyl)phenoxy]ethyl]morpholine
MOLECULAR FORMULA: C19H22N4O2
MOLECULAR WEIGHT: 338.40358
SMILES: C1COCCN1CCOC2=C(C=C(C=C2)CC3=CC=CC=C3)N=[N+]=[N-]
Structure:
CAS RN: 130746-91-7
CAS Name: 2-(4-isothiocyanatophenyl)-2-phenylpropanoic acid 2-(diethylamino)ethyl ester; oxalate
OPENEYE Name: 2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate; oxalate
IUPAC Name: 2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate; oxalate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate; ethanedioate
MOLECULAR FORMULA: C24H26N2O6S-2
MOLECULAR WEIGHT: 470.53804
SMILES: CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N=C=S.C(=O)(C(=O)[O-])[O-]
Structure:
CAS RN: 130736-25-3
CAS Name: 8-methyl-2-(4-morpholinyl)-7-(1-naphthalenylmethoxy)-1-benzopyran-4-one
OPENEYE Name: 8-methyl-2-morpholino-7-(1-naphthylmethoxy)chromen-4-one
IUPAC Name: 8-methyl-2-morpholin-4-yl-7-(naphthalen-1-ylmethoxy)chromen-4-one
SYSTEMATIC NAME: 8-methyl-2-morpholin-4-yl-7-(naphthalen-1-ylmethoxy)chromen-4-one
MOLECULAR FORMULA: C25H23NO4
MOLECULAR WEIGHT: 401.45442
SMILES: CC1=C(C=CC2=C1OC(=CC2=O)N3CCOCC3)OCC4=CC=CC5=CC=CC=C54
Structure:
CAS RN: 130736-65-1
CAS Name: 2-(4-morpholinyl)-8-(3-pyridinylmethoxy)-1-benzopyran-4-one
OPENEYE Name: 2-morpholino-8-(3-pyridylmethoxy)chromen-4-one
IUPAC Name: 2-morpholin-4-yl-8-(pyridin-3-ylmethoxy)chromen-4-one
SYSTEMATIC NAME: 2-morpholin-4-yl-8-(pyridin-3-ylmethoxy)chromen-4-one
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)OCC4=CN=CC=C4
Structure:
CAS RN: 130735-56-7
CAS Name: 2-(4-morpholinyl)-1-benzopyran-4-one
OPENEYE Name: 2-morpholinochromen-4-one
IUPAC Name: 2-morpholin-4-ylchromen-4-one
SYSTEMATIC NAME: 2-morpholin-4-ylchromen-4-one
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: C1COCCN1C2=CC(=O)C3=CC=CC=C3O2
Structure:
CAS RN: 130707-75-4
CAS Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
OPENEYE Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
IUPAC Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
SYSTEMATIC NAME: 4-(4-aminophenyl)-2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
MOLECULAR FORMULA: C24H37N5O8
MOLECULAR WEIGHT: 523.57928
SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CCC2=CC=C(C=C2)N)C(=O)O)CC(=O)O
Structure:
CAS RN: 130693-92-4
CAS Name: (1S,2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)-1-cyclohexanamine dihydrobromide
OPENEYE Name: (1S,2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-yl-cyclohexanamine dihydrobromide
IUPAC Name: (1S,2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine dihydrobromide
SYSTEMATIC NAME: (1S,2R)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-yl-cyclohexan-1-amine dihydrobromide
MOLECULAR FORMULA: C19H30Br2Cl2N2
MOLECULAR WEIGHT: 517.1689
SMILES: CN(CCC1=CC(=C(C=C1)Cl)Cl)[C@H]2CCCC[C@H]2N3CCCC3.Br.Br
Structure:
CAS RN: 130641-36-0
CAS Name: (1R)-1-(4-amino-3,5-dichlorophenyl)-2-[6-[2-(2-pyridinyl)ethoxy]hexylamino]ethanol
OPENEYE Name: (1R)-1-(4-amino-3,5-dichloro-phenyl)-2-[6-[2-(2-pyridyl)ethoxy]hexylamino]ethanol
IUPAC Name: (1R)-1-(4-amino-3,5-dichlorophenyl)-2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethanol
SYSTEMATIC NAME: (1R)-1-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethanol
MOLECULAR FORMULA: C21H29Cl2N3O2
MOLECULAR WEIGHT: 426.37986
SMILES: C1=CC=NC(=C1)CCOCCCCCCNC[C@@H](C2=CC(=C(C(=C2)Cl)N)Cl)O
Structure:
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