CAS RN: 144980-77-8
CAS Name: 2-[4-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride
OPENEYE Name: 2-[4-[[(2R)-chroman-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride
IUPAC Name: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride
SYSTEMATIC NAME: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one hydrochloride
MOLECULAR FORMULA: C21H25ClN2O4S
MOLECULAR WEIGHT: 436.9522
SMILES: C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl
Structure:
CAS RN: 144170-10-5
CAS Name: 2-bromo-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide
OPENEYE Name: 2-bromo-N-(2,6-diisopropylphenyl)-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
IUPAC Name: 2-bromo-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
SYSTEMATIC NAME: 2-bromanyl-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
MOLECULAR FORMULA: C27H28BrNO2
MOLECULAR WEIGHT: 478.42072
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)Br
Structure:
CAS RN: 143158-17-2
CAS Name: 7-[(3R)-3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 7-[(3R)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-[(3R)-3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C20H23ClFN3O3
MOLECULAR WEIGHT: 407.866323
SMILES: CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)N
Structure:
CAS RN: 142852-50-4
CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone
OPENEYE Name: 3-(1-benzyl-4-piperidyl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one
IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one
SYSTEMATIC NAME: 3-[1-(phenylmethyl)piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one
MOLECULAR FORMULA: C25H32N2O
MOLECULAR WEIGHT: 376.53438
SMILES: C1CCNC2=C(C1)C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4
Structure:
CAS RN: 139552-96-8
CAS Name: 2-hexyl-5-pentylbenzene-1,3-diol
OPENEYE Name: 2-hexyl-5-pentyl-benzene-1,3-diol
IUPAC Name: 2-hexyl-5-pentylbenzene-1,3-diol
SYSTEMATIC NAME: 2-hexyl-5-pentyl-benzene-1,3-diol
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CCCCCCC1=C(C=C(C=C1O)CCCCC)O
Structure:
CAS RN: 137275-81-1
CAS Name: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propanamine
OPENEYE Name: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
IUPAC Name: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: C1[C@@H](OC2=CC=CC=C2O1)CNCCCOC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 137275-80-0
CAS Name: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propanamine hydrochloride
OPENEYE Name: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine hydrochloride
IUPAC Name: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine hydrochloride
MOLECULAR FORMULA: C19H22ClNO5
MOLECULAR WEIGHT: 379.83468
SMILES: C1[C@@H](OC2=CC=CC=C2O1)CNCCCOC3=CC4=C(C=C3)OCO4.Cl
Structure:
CAS RN: 135026-90-3
CAS Name: 7-[(3R)-3-[(1S)-1-aminoethyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
OPENEYE Name: 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC Name: 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 7-[(3R)-3-[(1S)-1-azanylethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C18H21FN4O3
MOLECULAR WEIGHT: 360.382743
SMILES: C[C@@H]([C@@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N
Structure:
CAS RN: 134880-75-4
CAS Name: N-[5-chloro-4-(trifluoromethyl)-2-thiazolyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
OPENEYE Name: N-[5-chloro-4-(trifluoromethyl)thiazol-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[5-chloranyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
MOLECULAR FORMULA: C14H6ClF9N2OS
MOLECULAR WEIGHT: 456.713869
SMILES: CN(C1=NC(=C(S1)Cl)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 134880-74-3
CAS Name: N-[5-chloro-4-(trifluoromethyl)-2-thiazolyl]-3,5-bis(trifluoromethyl)benzamide
OPENEYE Name: N-[5-chloro-4-(trifluoromethyl)thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[5-chloranyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
MOLECULAR FORMULA: C13H4ClF9N2OS
MOLECULAR WEIGHT: 442.687289
SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NC2=NC(=C(S2)Cl)C(F)(F)F
Structure:
CAS RN: 134576-33-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H18ClN4O3P
MOLECULAR WEIGHT: 284.680281
SMILES: C1N2CN3CN1CN(C2)C3.C(CCl)P(=O)(O)O
Structure:
CAS RN: 133586-83-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H46OS2
MOLECULAR WEIGHT: 462.79424
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4C5([C@@]3(CCCC5)C)OC(=S)S4)C
Structure:
CAS RN: 133550-77-3
CAS Name: 2-methyl-2-[(phenylmethyl)amino]propane-1,3-diol hydrochloride
OPENEYE Name: 2-(benzylamino)-2-methyl-propane-1,3-diol hydrochloride
IUPAC Name: 2-(benzylamino)-2-methylpropane-1,3-diol hydrochloride
SYSTEMATIC NAME: 2-methyl-2-[(phenylmethyl)amino]propane-1,3-diol hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CC(CO)(CO)NCC1=CC=CC=C1.Cl
Structure:
CAS RN: 133502-50-8
CAS Name: 4-[[4-(dimethylamino)phenyl]-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(dimethylamino)phenyl]-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(4-azanylidenecyclohexa-2,5-dien-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C23H25N3
MOLECULAR WEIGHT: 343.4647
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=N)C=C2)C3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 132171-14-3
CAS Name: N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamic acid prop-2-enyl ester hydrochloride
OPENEYE Name: allyl N-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]carbamate hydrochloride
IUPAC Name: prop-2-enyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate hydrochloride
SYSTEMATIC NAME: prop-2-enyl N-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]carbamate hydrochloride
MOLECULAR FORMULA: C16H25ClN2O4
MOLECULAR WEIGHT: 344.8337
SMILES: CC(C)NCC(COC1=CC=C(C=C1)NC(=O)OCC=C)O.Cl
Structure:
CAS RN: 131722-57-1
CAS Name: 9-ethyl-4,6,9,10,11-pentahydroxy-7-[[5-hydroxy-6-methyl-4-(4-morpholinyl)-2-oxanyl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: 9-ethyl-4,6,9,10,11-pentahydroxy-7-(5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl)oxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: 9-ethyl-4,6,9,10,11-pentahydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: 9-ethyl-7-(6-methyl-4-morpholin-4-yl-5-oxidanyl-oxan-2-yl)oxy-4,6,9,10,11-pentakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C30H36ClNO11
MOLECULAR WEIGHT: 622.05994
SMILES: CCC1(CC(C2=C(C3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N6CCOCC6)O.Cl
Structure:
CAS RN: 130403-08-6
CAS Name: 2,6-dimethyl-N-(5-methyl-3-isoxazolyl)benzamide
OPENEYE Name: 2,6-dimethyl-N-(5-methylisoxazol-3-yl)benzamide
IUPAC Name: 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SYSTEMATIC NAME: 2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1=C(C(=CC=C1)C)C(=O)NC2=NOC(=C2)C
Structure:
CAS RN: 129476-64-8
CAS Name: 2,2,2-trifluoro-N-(2-pyrazinyl)acetamide
OPENEYE Name: 2,2,2-trifluoro-N-pyrazin-2-yl-acetamide
IUPAC Name: 2,2,2-trifluoro-N-pyrazin-2-ylacetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-pyrazin-2-yl-ethanamide
MOLECULAR FORMULA: C6H4F3N3O
MOLECULAR WEIGHT: 191.11067
SMILES: C1=CN=C(C=N1)NC(=O)C(F)(F)F
Structure:
CAS RN: 128023-24-5
CAS Name: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C14H17NO3Si
MOLECULAR WEIGHT: 275.37518
SMILES: C#CC1=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3
Structure:
CAS RN: 128049-16-1
CAS Name: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(4-ethynylphenyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C14H17NO3Si
MOLECULAR WEIGHT: 275.37518
SMILES: C#CC1=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3
Structure:
CAS RN: 127380-62-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: C[C@]12[C@@H]3CC[C@H]([C@H]1C(=O)OC2=O)O3
Structure:
CAS RN: 127331-49-1
CAS Name: (1R,2R,3S,4S,5S)-5-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
OPENEYE Name: (1R,2R,3S,4S,5S)-5-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
IUPAC Name: (1R,2R,3S,4S,5S)-5-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SYSTEMATIC NAME: (1R,2R,3S,4S,5S)-5-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
MOLECULAR FORMULA: C11H14O7
MOLECULAR WEIGHT: 258.22466
SMILES: CCOC(=O)[C@H]1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(=O)O
Structure:
CAS RN: 124636-08-4
CAS Name: 2-(6-amino-1H-benzimidazol-2-yl)guanidine dihydrochloride
OPENEYE Name: 2-(6-amino-1H-benzimidazol-2-yl)guanidine dihydrochloride
IUPAC Name: 2-(6-amino-1H-benzimidazol-2-yl)guanidine dihydrochloride
SYSTEMATIC NAME: 2-(6-azanyl-1H-benzimidazol-2-yl)guanidine dihydrochloride
MOLECULAR FORMULA: C8H12Cl2N6
MOLECULAR WEIGHT: 263.12708
SMILES: C1=CC2=C(C=C1N)NC(=N2)N=C(N)N.Cl.Cl
Structure:
CAS RN: 124533-50-2
CAS Name: 8-fluoro-N-[2-(4-phenyl-2-thiazolyl)ethyl]-4-quinolinamine
OPENEYE Name: 8-fluoro-N-[2-(4-phenylthiazol-2-yl)ethyl]quinolin-4-amine
IUPAC Name: 8-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]quinolin-4-amine
SYSTEMATIC NAME: 8-fluoranyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]quinolin-4-amine
MOLECULAR FORMULA: C20H16FN3S
MOLECULAR WEIGHT: 349.424543
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)CCNC3=C4C=CC=C(C4=NC=C3)F
Structure:
CAS RN: 123298-15-7
CAS Name: N-methylcarbamic acid [1-methyl-5-(methylcarbamoyloxymethyl)-2-(methylthio)-4-imidazolyl]methyl ester hydrochloride
OPENEYE Name: [1-methyl-5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate hydrochloride
IUPAC Name: [1-methyl-5-(methylcarbamoyloxymethyl)-2-methylsulfanylimidazol-4-yl]methyl N-methylcarbamate hydrochloride
SYSTEMATIC NAME: [1-methyl-5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate hydrochloride
MOLECULAR FORMULA: C11H19ClN4O4S
MOLECULAR WEIGHT: 338.81096
SMILES: CNC(=O)OCC1=C(N(C(=N1)SC)C)COC(=O)NC.Cl
Structure:
CAS RN: 121652-76-4
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; N-heptylcarbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester
OPENEYE Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid
MOLECULAR FORMULA: C25H39N3O8
MOLECULAR WEIGHT: 509.59246
SMILES: CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 63132-39-8
CAS Name: [3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
OPENEYE Name: [3-(dimethylamino)-1-hydroxy-1-phosphono-propyl]phosphonic acid
IUPAC Name: [3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
SYSTEMATIC NAME: [3-(dimethylamino)-1-oxidanyl-1-phosphono-propyl]phosphonic acid
MOLECULAR FORMULA: C5H15NO7P2
MOLECULAR WEIGHT: 263.122622
SMILES: CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
Structure:
CAS RN: 121368-58-9
CAS Name: disodium [3-(dimethylamino)-1-hydroxy-1-phosphonatopropyl]phosphonic acid
OPENEYE Name: disodium [3-(dimethylamino)-1-hydroxy-1-phosphonato-propyl]phosphonic acid
IUPAC Name: disodium [3-(dimethylamino)-1-hydroxy-1-phosphonatopropyl]phosphonic acid
SYSTEMATIC NAME: disodium [3-(dimethylamino)-1-oxidanyl-1-phosphonato-propyl]phosphonic acid
MOLECULAR FORMULA: C5H13NNa2O7P2
MOLECULAR WEIGHT: 307.086282
SMILES: CN(C)CCC(O)(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 121354-90-3
CAS Name: 2-(1,2,2-trichloroethenyl)-1-benzothiophene 1,1-dioxide
OPENEYE Name: 2-(1,2,2-trichlorovinyl)benzothiophene 1,1-dioxide
IUPAC Name: 2-(1,2,2-trichloroethenyl)-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 2-[1,2,2-tris(chloranyl)ethenyl]-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C10H5Cl3O2S
MOLECULAR WEIGHT: 295.5695
SMILES: C1=CC=C2C(=C1)C=C(S2(=O)=O)C(=C(Cl)Cl)Cl
Structure:
CAS RN: 120812-76-2
CAS Name: 2-[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid ethyl ester; 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
OPENEYE Name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea; ethyl 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate
IUPAC Name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea; ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea; ethyl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate
MOLECULAR FORMULA: C24H25Cl3N6O8S
MOLECULAR WEIGHT: 663.9147
SMILES: CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC.CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
Structure:
CAS RN: 119584-76-8
CAS Name: 5-iodoquinazoline-2,4-diamine
OPENEYE Name: 5-iodoquinazoline-2,4-diamine
IUPAC Name: 5-iodoquinazoline-2,4-diamine
SYSTEMATIC NAME: 5-iodanylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7IN4
MOLECULAR WEIGHT: 286.07245
SMILES: C1=CC2=C(C(=C1)I)C(=NC(=N2)N)N
Structure:
CAS RN: 119584-75-7
CAS Name: 5-bromoquinazoline-2,4-diamine
OPENEYE Name: 5-bromoquinazoline-2,4-diamine
IUPAC Name: 5-bromoquinazoline-2,4-diamine
SYSTEMATIC NAME: 5-bromanylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7BrN4
MOLECULAR WEIGHT: 239.07198
SMILES: C1=CC2=C(C(=C1)Br)C(=NC(=N2)N)N
Structure:
CAS RN: 915402-34-5
CAS Name: 5-bromoquinazoline-2,4-diamine
OPENEYE Name: 5-bromoquinazoline-2,4-diamine
IUPAC Name: 5-bromoquinazoline-2,4-diamine
SYSTEMATIC NAME: 5-bromanylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7BrN4
MOLECULAR WEIGHT: 239.07198
SMILES: C1=CC2=C(C(=C1)Br)C(=NC(=N2)N)N
Structure:
CAS RN: 117241-47-1
CAS Name: 1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidine hydrochloride
OPENEYE Name: 1-[1-(isobutoxymethyl)-2-(1-prop-1-ynylcyclohexoxy)ethyl]pyrrolidine hydrochloride
IUPAC Name: 1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxy-propan-2-yl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C20H36ClNO2
MOLECULAR WEIGHT: 357.95834
SMILES: CC#CC1(CCCCC1)OCC(COCC(C)C)N2CCCC2.Cl
Structure:
CAS RN: 116287-14-0
CAS Name: (2R)-2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone
OPENEYE Name: (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
IUPAC Name: (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SYSTEMATIC NAME: (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
MOLECULAR FORMULA: C15H18F3NO
MOLECULAR WEIGHT: 285.30473
SMILES: C[C@H](CN1CCCC1)C(=O)C2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 116287-13-9
CAS Name: (2R)-2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone hydrochloride
OPENEYE Name: (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one hydrochloride
IUPAC Name: (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one hydrochloride
SYSTEMATIC NAME: (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one hydrochloride
MOLECULAR FORMULA: C15H19ClF3NO
MOLECULAR WEIGHT: 321.76567
SMILES: C[C@H](CN1CCCC1)C(=O)C2=CC=C(C=C2)C(F)(F)F.Cl
Structure:
CAS RN: 115966-98-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C1CC23C4CCC(C2(C1)C(=O)OC3=O)O4
Structure:
CAS RN: 114753-65-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H34O9
MOLECULAR WEIGHT: 466.52136
SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)OC(=O)C)OC(=O)C)C)CO
Structure:
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