CAS RN: 1210608-87-9
CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[1,1,2,2-tetradeuterio-2-(trideuteriomethylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine
OPENEYE Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[1,1,2,2-tetradeuterio-2-(trideuteriomethylsulfonyl)ethyl]amino]methyl]-2-furyl]quinazolin-4-amine
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[1,1,2,2-tetradeuterio-2-(trideuteriomethylsulfonyl)ethyl]amino]methyl]furan-2-yl]quinazolin-4-amine
SYSTEMATIC NAME: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[1,1,2,2-tetradeuterio-2-(trideuteriomethylsulfonyl)ethyl]amino]methyl]furan-2-yl]quinazolin-4-amine
MOLECULAR FORMULA: C29H26ClFN4O4S
MOLECULAR WEIGHT: 589.09333
SMILES: [2H]C([2H])(C([2H])([2H])S(=O)(=O)[13C]([2H])([2H])[2H])NCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
CAS RN: 1210610-07-3
CAS Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine hydrochloride
OPENEYE Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
SYSTEMATIC NAME: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
MOLECULAR FORMULA: C22H24ClN3O4
MOLECULAR WEIGHT: 435.852589
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)N[13C]3=[13CH][13CH]=[13CH][13C](=[13CH]3)C#C)OCCOC.Cl
CAS RN: 1210608-86-8
CAS Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-(trideuteriomethyl)-2-pyridinecarboxamide
OPENEYE Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: 4-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C21H16ClF3N4O3
MOLECULAR WEIGHT: 468.83609
SMILES: [2H][13C]([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
CAS RN: 949902-02-7
CAS Name: trifluoromethanesulfonic acid [8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-en-3-yl] ester
OPENEYE Name: (8-benzyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate
IUPAC Name: (8-benzyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate
SYSTEMATIC NAME: [8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-en-3-yl] tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C15H16F3NO3S
MOLECULAR WEIGHT: 347.35265
SMILES: C1CC2C=C(CC1N2CC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F
CAS RN: 885693-20-9
CAS Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
IUPAC Name: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
MOLECULAR FORMULA: C16H28BNO4
MOLECULAR WEIGHT: 309.20882
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C
CAS RN: 1128076-49-2
CAS Name: (2S,4S)-4-(phenylmethoxycarbonylamino)-2-pyrrolidinecarboxylic acid methyl ester dihydrochloride
OPENEYE Name: methyl (2S,4S)-4-(benzyloxycarbonylamino)pyrrolidine-2-carboxylate dihydrochloride
IUPAC Name: methyl (2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylate dihydrochloride
SYSTEMATIC NAME: methyl (2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylate dihydrochloride
MOLECULAR FORMULA: C14H20Cl2N2O4
MOLECULAR WEIGHT: 351.2256
SMILES: COC(=O)[C@@H]1C[C@@H](CN1)NC(=O)OCC2=CC=CC=C2.Cl.Cl
CAS RN: 1216523-97-5
CAS Name: 3-chloro-5-methoxybenzenecarboximidamide hydrochloride
OPENEYE Name: 3-chloro-5-methoxy-benzamidine hydrochloride
IUPAC Name: 3-chloro-5-methoxybenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 3-chloranyl-5-methoxy-benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C8H10Cl2N2O
MOLECULAR WEIGHT: 221.0838
SMILES: COC1=CC(=CC(=C1)C(=N)N)Cl.Cl
CAS RN: 376584-81-5
CAS Name: (1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)boronic acid
OPENEYE Name: (1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)boronic acid
IUPAC Name: (1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)boronic acid
SYSTEMATIC NAME: (1-oxidanylidene-3,4-dihydro-2H-isoquinolin-6-yl)boronic acid
MOLECULAR FORMULA: C9H10BNO3
MOLECULAR WEIGHT: 190.9916
SMILES: B(C1=CC2=C(C=C1)C(=O)NCC2)(O)O
CAS RN: 1245080-11-8
CAS Name: 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
IUPAC Name: ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
MOLECULAR FORMULA: C14H12Cl2N2O3
MOLECULAR WEIGHT: 327.16268
SMILES: CCOC(=O)C1=NN(C2=C1CCO2)C3=CC(=C(C=C3)Cl)Cl
CAS RN: 1245104-57-7
CAS Name: 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid
OPENEYE Name: 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid
IUPAC Name: 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C12H8Cl2N2O3
MOLECULAR WEIGHT: 299.10952
SMILES: C1COC2=C1C(=NN2C3=CC(=C(C=C3)Cl)Cl)C(=O)O
CAS RN: 73387-83-4
CAS Name: 3-methoxy-7,8-dihydro-6H-quinolin-5-one
OPENEYE Name: 3-methoxy-7,8-dihydro-6H-quinolin-5-one
IUPAC Name: 3-methoxy-7,8-dihydro-6H-quinolin-5-one
SYSTEMATIC NAME: 3-methoxy-7,8-dihydro-6H-quinolin-5-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CN=C2CCCC(=O)C2=C1
CAS RN: 944906-48-3
CAS Name: 3-bromo-6-chloroimidazo[1,2-a]pyrimidine
OPENEYE Name: 3-bromo-6-chloro-imidazo[1,2-a]pyrimidine
IUPAC Name: 3-bromo-6-chloroimidazo[1,2-a]pyrimidine
SYSTEMATIC NAME: 3-bromanyl-6-chloranyl-imidazo[1,2-a]pyrimidine
MOLECULAR FORMULA: C6H3BrClN3
MOLECULAR WEIGHT: 232.46512
SMILES: C1=C(N2C=C(C=NC2=N1)Cl)Br
CAS RN: 1239759-41-1
CAS Name: 6-chloro-2-(ethylthio)-3-methyl-4-pyrimidinone
OPENEYE Name: 6-chloro-2-ethylsulfanyl-3-methyl-pyrimidin-4-one
IUPAC Name: 6-chloro-2-ethylsulfanyl-3-methylpyrimidin-4-one
SYSTEMATIC NAME: 6-chloranyl-2-ethylsulfanyl-3-methyl-pyrimidin-4-one
MOLECULAR FORMULA: C7H9ClN2OS
MOLECULAR WEIGHT: 204.67716
SMILES: CCSC1=NC(=CC(=O)N1C)Cl
CAS RN: 757956-65-3
CAS Name: 6-bromo-3,4-dihydro-2H-1-benzopyran-3-amine hydrochloride
OPENEYE Name: 6-bromochroman-3-amine hydrochloride
IUPAC Name: 6-bromo-3,4-dihydro-2H-chromen-3-amine hydrochloride
SYSTEMATIC NAME: 6-bromanyl-3,4-dihydro-2H-chromen-3-amine hydrochloride
MOLECULAR FORMULA: C9H11BrClNO
MOLECULAR WEIGHT: 264.54674
SMILES: C1C(COC2=C1C=C(C=C2)Br)N.Cl
CAS RN: 1259952-25-4
CAS Name: 2-amino-7-bromo-2,3-dihydro-1H-inden-1-ol hydrochloride
OPENEYE Name: 2-amino-7-bromo-indan-1-ol hydrochloride
IUPAC Name: 2-amino-7-bromo-2,3-dihydro-1H-inden-1-ol hydrochloride
SYSTEMATIC NAME: 2-azanyl-7-bromanyl-2,3-dihydro-1H-inden-1-ol hydrochloride
MOLECULAR FORMULA: C9H11BrClNO
MOLECULAR WEIGHT: 264.54674
SMILES: C1C(C(C2=C1C=CC=C2Br)O)N.Cl
CAS RN: 380828-77-3
CAS Name: 4-(4-chlorophenoxy)-1-cyclohexanamine hydrochloride
OPENEYE Name: 4-(4-chlorophenoxy)cyclohexanamine hydrochloride
IUPAC Name: 4-(4-chlorophenoxy)cyclohexan-1-amine hydrochloride
SYSTEMATIC NAME: 4-(4-chloranylphenoxy)cyclohexan-1-amine hydrochloride
MOLECULAR FORMULA: C12H17Cl2NO
MOLECULAR WEIGHT: 262.17548
SMILES: C1CC(CCC1N)OC2=CC=C(C=C2)Cl.Cl
CAS RN: 863868-32-0
CAS Name: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
OPENEYE Name: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC Name: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SYSTEMATIC NAME: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile
MOLECULAR FORMULA: C14H18BNO2
MOLECULAR WEIGHT: 243.10922
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)C
CAS RN: 1259952-27-6
CAS Name: 2-[[2-(2,6-dichlorophenyl)-3-imidazo[4,5-c]pyridinyl]methyl]aniline
OPENEYE Name: 2-[[2-(2,6-dichlorophenyl)imidazo[4,5-c]pyridin-3-yl]methyl]aniline
IUPAC Name: 2-[[2-(2,6-dichlorophenyl)imidazo[4,5-c]pyridin-3-yl]methyl]aniline
SYSTEMATIC NAME: 2-[[2-[2,6-bis(chloranyl)phenyl]imidazo[4,5-c]pyridin-3-yl]methyl]aniline
MOLECULAR FORMULA: C19H14Cl2N4
MOLECULAR WEIGHT: 369.24726
SMILES: C1=CC=C(C(=C1)CN2C3=C(C=CN=C3)N=C2C4=C(C=CC=C4Cl)Cl)N
CAS RN: 916420-30-9
CAS Name: 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine
OPENEYE Name: 6-bromo-4-chloro-pyrrolo[2,1-f][1,2,4]triazine
IUPAC Name: 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine
SYSTEMATIC NAME: 6-bromanyl-4-chloranyl-pyrrolo[2,1-f][1,2,4]triazine
MOLECULAR FORMULA: C6H3BrClN3
MOLECULAR WEIGHT: 232.46512
SMILES: C1=C2C(=NC=NN2C=C1Br)Cl
CAS RN: 95464-05-4
CAS Name: 1-cyclopenta-1,4-dienyl(diphenyl)phosphine; 1-cyclopenta-2,4-dienyl(diphenyl)phosphine; dichloromethane; dichloropalladium
OPENEYE Name: cyclopenta-1,4-dien-1-yl(diphenyl)phosphane; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; dichloromethane; dichloropalladium
IUPAC Name: cyclopenta-1,4-dien-1-yl(diphenyl)phosphane; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; dichloromethane; dichloropalladium
SYSTEMATIC NAME: bis(chloranyl)methane; bis(chloranyl)palladium; cyclopenta-1,4-dien-1-yl(diphenyl)phosphane; cyclopenta-2,4-dien-1-yl(diphenyl)phosphane
MOLECULAR FORMULA: C35H32Cl4P2Pd
MOLECULAR WEIGHT: 762.808102
SMILES: C1C=CC(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2C=CC=C2)C3=CC=CC=C3.C(Cl)Cl.Cl[Pd]Cl
CAS RN: 229496-83-7
CAS Name: 3-bromoazetidine hydrobromide
OPENEYE Name: 3-bromoazetidine hydrobromide
IUPAC Name: 3-bromoazetidine hydrobromide
SYSTEMATIC NAME: 3-bromanylazetidine hydrobromide
MOLECULAR FORMULA: C3H7Br2N
MOLECULAR WEIGHT: 216.90238
SMILES: C1C(CN1)Br.Br
CAS RN: 14064-61-0
CAS Name: zinc; 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-1,2,3,4,5,6,9,10,11,14,15,16,17,18,19,20,22,23-octadecahydroporphyrin-21,24-diid-2-yl]propanoate; hydron
OPENEYE Name: zinc; 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-1,2,3,4,5,6,9,10,11,14,15,16,17,18,19,20,22,23-octadecahydroporphyrin-21,24-diid-2-yl]propanoate; hydron
IUPAC Name: zinc; 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-1,2,3,4,5,6,9,10,11,14,15,16,17,18,19,20,22,23-octadecahydroporphyrin-21,24-diid-2-yl]propanoate; hydron
SYSTEMATIC NAME: zinc; 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)-1,2,3,4,5,6,9,10,11,14,15,16,17,18,19,20,22,23-octadecahydroporphyrin-21,24-diid-2-yl]propanoate; hydron
MOLECULAR FORMULA: C34H54N4O6Zn
MOLECULAR WEIGHT: 680.22476
SMILES: [H+].[H+].CC1C2CC3C(=C(C(N3)CC4C(=C(C(N4)CC5C(C(C([N-]5)CC(C1CCC(=O)[O-])[N-]2)CCC(=O)[O-])C)C(C)O)C)C(C)O)C.[Zn+2]
CAS RN: 6468-48-0
CAS Name: sodium 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-2-benzimidazolylidene]prop-1-enyl]-6-(trifluoromethyl)-1-benzimidazol-3-iumyl]-1-propanesulfonate
OPENEYE Name: sodium 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate
IUPAC Name: sodium 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: sodium 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C27H27F6N4NaO6S2
MOLECULAR WEIGHT: 704.636669
SMILES: CN\1C2=C(C=C(C=C2)C(F)(F)F)N(/C1=C\C=C\C3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(F)(F)F)C)CCCS(=O)(=O)[O-].[Na+]
CAS RN: 17374-48-0
CAS Name: N-[2-[[[3-hydroxy-5-[[oxo-[2-[[oxo(2-pyridinylmethoxy)methyl]amino]phenyl]methyl]amino]-1,6-diphenylhexan-2-yl]amino]-oxomethyl]phenyl]carbamic acid 2-pyridinylmethyl ester
OPENEYE Name: 2-pyridylmethyl N-[2-[[1-benzyl-2-hydroxy-5-phenyl-4-[[2-(2-pyridylmethoxycarbonylamino)benzoyl]amino]pentyl]carbamoyl]phenyl]carbamate
IUPAC Name: pyridin-2-ylmethyl N-[2-[[3-hydroxy-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]carbamoyl]phenyl]carbamate
SYSTEMATIC NAME: pyridin-2-ylmethyl N-[2-[[3-oxidanyl-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)phenyl]carbonylamino]hexan-2-yl]carbamoyl]phenyl]carbamate
MOLECULAR FORMULA: C46H44N6O7
MOLECULAR WEIGHT: 792.87756
SMILES: C1=CC=C(C=C1)CC(CC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)OCC4=CC=CC=N4)O)NC(=O)C5=CC=CC=C5NC(=O)OCC6=CC=CC=N6
CAS RN: 6253-57-2
CAS Name: potassium trioxochromium chloride
OPENEYE Name: potassium trioxochromium chloride
IUPAC Name: potassium trioxochromium chloride
SYSTEMATIC NAME: potassium tris(oxidanylidene)chromium chloride
MOLECULAR FORMULA: ClCrKO3
MOLECULAR WEIGHT: 174.5456
SMILES: O=[Cr](=O)=O.[Cl-].[K+]
CAS RN: 66454-86-2
CAS Name: dibutyltin; 1-octanol
OPENEYE Name: dibutyltin; octan-1-ol
IUPAC Name: dibutyltin; octan-1-ol
SYSTEMATIC NAME: dibutyltin; octan-1-ol
MOLECULAR FORMULA: C24H54O2Sn
MOLECULAR WEIGHT: 493.39436
SMILES: CCCCCCCCO.CCCCCCCCO.CCCC[Sn]CCCC
CAS RN: 2899-43-6
CAS Name: N1',N2'-bis[(E)-2-furanylmethylideneamino]ethanediimidamide
OPENEYE Name: N1',N2'-bis[(E)-2-furylmethyleneamino]oxalamidine
IUPAC Name: 1-N',2-N'-bis[(E)-furan-2-ylmethylideneamino]ethanediimidamide
SYSTEMATIC NAME: N1',N2'-bis[(E)-furan-2-ylmethylideneamino]ethanediimidamide
MOLECULAR FORMULA: C12H12N6O2
MOLECULAR WEIGHT: 272.26268
SMILES: C1=COC(=C1)/C=N/N=C(\N)/C(=N/N=C/C2=CC=CO2)/N
CAS RN: 24853-32-5
CAS Name: N-[(E)-[2-(ethylthio)-5-fluoro-4-oxo-1H-pyrimidin-6-yl]methylideneamino]benzenesulfonamide
OPENEYE Name: N-[(E)-(2-ethylsulfanyl-5-fluoro-4-oxo-1H-pyrimidin-6-yl)methyleneamino]benzenesulfonamide
IUPAC Name: N-[(E)-(2-ethylsulfanyl-5-fluoro-4-oxo-1H-pyrimidin-6-yl)methylideneamino]benzenesulfonamide
SYSTEMATIC NAME: N-[(E)-(2-ethylsulfanyl-5-fluoranyl-4-oxidanylidene-1H-pyrimidin-6-yl)methylideneamino]benzenesulfonamide
MOLECULAR FORMULA: C13H13FN4O3S2
MOLECULAR WEIGHT: 356.395723
SMILES: CCSC1=NC(=O)C(=C(N1)/C=N/NS(=O)(=O)C2=CC=CC=C2)F
CAS RN: 19982-35-5
CAS Name: N-[1-[[4-[[[2-(ethoxycarbonylamino)-3-methyl-1-oxobutyl]amino]-[[4-(5-thiazolyl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[1-[[1-benzyl-3-[[[2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-[(4-thiazol-5-ylphenyl)methyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate
IUPAC Name: methyl N-[1-[[4-[[[2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-5-yl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[1-[[4-[[[2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-[[4-(1,3-thiazol-5-yl)phenyl]methyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C35H48N6O7S
MOLECULAR WEIGHT: 696.85662
SMILES: CCOC(=O)NC(C(C)C)C(=O)NN(CC1=CC=C(C=C1)C2=CN=CS2)CC(C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)OC)O
CAS RN: 854689-07-9
CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-azanyl-2-oxidanylidene-1H-pyrimidin-3-ium-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C9H17N3O14P3+
MOLECULAR WEIGHT: 484.164263
SMILES: C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
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